ID 4GKIA STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 1 0 GLY A 165 164 SER B Protein B 2 FT #SUB 4 3 HIS A 108 107 PHE B Protein S 21 FT #SUB 4 3 HIS A 203 202 ASP B Protein A 7 FT #SUB 4 3 HIS A 239 238 GLU B Protein S 5 FT #SUB 5 4 ILE A 33 32 ASN B Protein A 4 FT #SUB 5 4 ILE A 34 33 VAL B Protein B 3 FT #SUB 6 5 GLN A 33 32 ASN B Protein B 2 FT #SUB 6 5 GLN A 109 108 GLN B Protein S 4 FT #SUB 7 6 ARG A 31 30 ARG B Protein B 1 FT #SUB 7 6 ARG A 32 31 ASP B Protein B 2 FT #SUB 7 6 ARG A 33 32 ASN B Protein B 5 FT #SUB 8 7 GLU A 30 29 ALA B Protein S 4 FT #SUB 8 7 GLU A 31 30 ARG B Protein A 3 FT #SUB 8 7 GLU A 32 31 ASP B Protein A 7 FT #SUB 8 7 GLU A 43 42 ARG B Protein S 9 FT #SUB 9 8 THR A 30 29 ALA B Protein B 3 FT #SUB 9 8 THR A 31 30 ARG B Protein A 8 FT #SUB 11 10 CYS A 29 28 TRP B Protein A 4 FT #SUB 11 10 CYS A 30 29 ALA B Protein S 2 FT #SUB 11 10 CYS A 31 30 ARG B Protein S 2 FT #SUB 11 10 CYS A 42 41 TYR B Protein S 2 FT #SUB 13 12 ARG A 24 23 LEU B Protein S 2 FT #SUB 13 12 ARG A 29 28 TRP B Protein S 1 FT #SUB 14 13 PRO A 29 28 TRP B Protein S 4 FT #SUB 14 13 PRO A 42 41 TYR B Protein S 5 FT #SUB 15 14 ARG A 96 95 TRP B Protein B 2 FT #SUB 16 15 LEU A 21 20 ASP B Protein S 3 FT #SUB 16 15 LEU A 24 23 LEU B Protein S 1 FT #SUB 17 16 ASN A 91 90 THR B Protein S 5 FT #SUB 17 16 ASN A 96 95 TRP B Protein S 1 FT #SUB 19 18 ASN A 19 18 ASN B Protein S 1 FT #SUB 20 19 LEU A 17 16 ASN B Protein S 1 FT #SUB 21 20 ASP A 17 16 ASN B Protein S 2 FT #SUB 21 20 ASP A 19 18 ASN B Protein S 1 FT #SUB 64 63 ASN A 74 73 ASN B Protein S 4 FT #SUB 67 66 THR A 70 69 MSE B Protein S 2 FT #SUB 67 66 THR A 71 70 VAL B Protein S 1 FT #SUB 70 69 MSE A 67 66 THR B Protein S 1 FT #SUB 70 69 MSE A 70 69 MSE B Protein S 1 FT #SUB 71 70 VAL A 67 66 THR B Protein S 1 FT #SUB 71 70 VAL A 71 70 VAL B Protein S 2 FT #SUB 72 71 ARG A 141 140 PRO B Protein S 1 FT #SUB 74 73 ASN A 64 63 ASN B Protein S 4 FT #SUB 74 73 ASN A 90 89 ARG B Protein S 5 FT #SUB 85 84 ILE A 92 91 PRO B Protein B 2 FT #SUB 86 85 LYS A 92 91 PRO B Protein A 2 FT #SUB 87 86 HIS A 89 88 ILE B Protein S 1 FT #SUB 87 86 HIS A 90 89 ARG B Protein A 3 FT #SUB 87 86 HIS A 91 90 THR B Protein S 2 FT #SUB 88 87 PHE A 88 87 PHE B Protein A 5 FT #SUB 88 87 PHE A 89 88 ILE B Protein B 2 FT #SUB 88 87 PHE A 90 89 ARG B Protein B 7 FT #SUB 89 88 ILE A 17 16 ASN B Protein S 1 FT #SUB 89 88 ILE A 87 86 HIS B Protein S 1 FT #SUB 89 88 ILE A 88 87 PHE B Protein A 3 FT #SUB 90 89 ARG A 74 73 ASN B Protein S 3 FT #SUB 90 89 ARG A 87 86 HIS B Protein B 2 FT #SUB 90 89 ARG A 88 87 PHE B Protein A 8 FT #SUB 91 90 THR A 87 86 HIS B Protein S 2 FT #SUB 92 91 PRO A 85 84 ILE B Protein S 1 FT #SUB 92 91 PRO A 86 85 LYS B Protein S 1 FT #SUB 96 95 TRP A 17 16 ASN B Protein S 1 FT #SUB 138 137 CYS A 147 146 VAL B Protein A 3 FT #SUB 138 137 CYS A 148 147 PHE B Protein B 4 FT #SUB 138 137 CYS A 151 150 ALA B Protein A 3 FT #SUB 139 138 ASN A 148 147 PHE B Protein B 2 FT #SUB 140 139 CYS A 143 142 ASN B Protein B 3 FT #SUB 140 139 CYS A 148 147 PHE B Protein B 4 FT #SUB 141 140 PRO A 72 71 ARG B Protein S 1 FT #SUB 141 140 PRO A 142 141 PHE B Protein B 2 FT #SUB 141 140 PRO A 143 142 ASN B Protein B 8 FT #SUB 141 140 PRO A 148 147 PHE B Protein A 5 FT #SUB 142 141 PHE A 141 140 PRO B Protein A 3 FT #SUB 143 142 ASN A 140 139 CYS B Protein S 3 FT #SUB 143 142 ASN A 141 140 PRO B Protein A 7 FT #SUB 143 142 ASN A 223 222 ILE B Protein S 1 FT #SUB 147 146 VAL A 138 137 CYS B Protein A 3 FT #SUB 148 147 PHE A 138 137 CYS B Protein A 7 FT #SUB 148 147 PHE A 139 138 ASN B Protein S 2 FT #SUB 148 147 PHE A 140 139 CYS B Protein S 4 FT #SUB 148 147 PHE A 141 140 PRO B Protein S 4 FT #SUB 151 150 ALA A 138 137 CYS B Protein S 2 FT #SUB 223 222 ILE A 143 142 ASN B Protein S 1 FT #SUB 13 12 ARG A 188 187 PRO I Protein S 1 FT #SUB 29 28 TRP A 256 255 ASN J Protein S 1 FT #SUB 113 112 GLU A 59 58 LYS L Protein S 1 FT #SUB 113 112 GLU A 60 59 GLY L Protein A 3 FT #SUB 113 112 GLU A 61 60 SER L Protein B 2 FT #SUB 113 112 GLU A 93 92 ASP L Protein S 3 FT #SUB 114 113 TYR A 60 59 GLY L Protein S 7 FT #SUB 114 113 TYR A 61 60 SER L Protein A 7 FT #SUB 114 113 TYR A 92 91 PRO L Protein S 1 FT #SUB 114 113 TYR A 93 92 ASP L Protein S 6 FT #SUB 115 114 PRO A 61 60 SER L Protein A 4 FT #SUB 115 114 PRO A 159 158 ASN L Protein B 4 FT #SUB 115 114 PRO A 161 160 LEU L Protein S 2 FT #SUB 116 115 ASP A 61 60 SER L Protein A 9 FT #SUB 116 115 ASP A 159 158 ASN L Protein B 3 FT #SUB 116 115 ASP A 161 160 LEU L Protein S 1 FT #SUB 118 117 GLY A 159 158 ASN L Protein B 4 FT #SUB 119 118 GLU A 158 157 ASN L Protein S 2 FT #SUB 119 118 GLU A 159 158 ASN L Protein A 2 FT #SUB 240 239 PHE A 160 159 GLY L Protein B 1 FT #SUB 241 240 SER A 158 157 ASN L Protein S 3 FT #SUB 241 240 SER A 160 159 GLY L Protein S 2 FT #SUB 243 242 SER A 158 157 ASN L Protein S 10 FT #SUB 244 243 LEU A 158 157 ASN L Protein A 3 FT #HET 3 2 SER A 10 301 KAN B S 5 FT #HET 4 3 HIS A 10 301 KAN B S 3 FT #HET 6 5 GLN A 11 302 0JN B S 13 FT #HET 32 31 ASP A 2 302 0JN A S 4 FT #HET 38 37 GLY A 6 306 ACT A B 2 FT #HET 39 38 ALA A 6 306 ACT A B 3 FT #HET 40 39 THR A 6 306 ACT A A 3 FT #HET 54 53 PHE A 2 302 0JN A S 15 FT #HET 57 56 HIS A 6 306 ACT A B 3 FT #HET 58 57 GLY A 6 306 ACT A B 3 FT #HET 59 58 LYS A 6 306 ACT A A 6 FT #HET 62 61 VAL A 6 306 ACT A S 2 FT #HET 77 76 THR A 3 303 NA A A 5 FT #HET 77 76 THR A 7 307 ACT A B 2 FT #HET 78 77 ALA A 7 307 ACT A B 2 FT #HET 79 78 PHE A 7 307 ACT A B 1 FT #HET 80 79 MSE A 3 303 NA A B 2 FT #HET 80 79 MSE A 7 307 ACT A B 6 FT #HET 81 80 PRO A 3 303 NA A B 1 FT #HET 81 80 PRO A 7 307 ACT A A 4 FT #HET 82 81 LEU A 3 303 NA A B 1 FT #HET 83 82 PRO A 2 302 0JN A S 1 FT #HET 100 99 THR A 2 302 0JN A B 1 FT #HET 101 100 ALA A 2 302 0JN A B 3 FT #HET 102 101 ILE A 2 302 0JN A A 11 FT #HET 110 109 VAL A 8 308 ACT A S 1 FT #HET 114 113 TYR A 8 308 ACT A S 4 FT #HET 117 116 SER A 8 308 ACT A S 2 FT #HET 121 120 ILE A 8 308 ACT A S 1 FT #HET 130 129 ARG A 9 309 PEG A A 4 FT #HET 133 132 HIS A 9 309 PEG A B 1 FT #HET 134 133 SER A 9 309 PEG A A 5 FT #HET 166 165 ASP A 1 301 KAN A A 13 FT #HET 167 166 PHE A 1 301 KAN A B 3 FT #HET 168 167 ASP A 1 301 KAN A A 12 FT #HET 199 198 ASP A 1 301 KAN A S 5 FT #HET 216 215 ILE A 2 302 0JN A S 13 FT #HET 235 234 ASN A 1 301 KAN A A 8 FT #HET 235 234 ASN A 4 304 NA A S 2 FT #HET 236 235 CYS A 1 301 KAN A A 4 FT #HET 239 238 GLU A 1 301 KAN A S 10 FT #HET 242 241 PRO A 5 305 CL A A 3 FT #HET 243 242 SER A 5 305 CL A B 2 FT #HET 246 245 LYS A 5 305 CL A S 1 FT #HET 252 251 TYR A 9 309 PEG A A 4 FT #HET 269 268 ASP A 1 301 KAN A A 8 FT #HET 270 269 GLU A 1 301 KAN A S 4 FT #HET 272 271 PHE A 1 301 KAN A B 11 CC SEQUENCE 272 AA (ATOM); CC GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG CC SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN CC IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW CC KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF CC SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ************************************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIB STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 17 16 ASN B 20 19 LEU A Protein S 1 FT #SUB 17 16 ASN B 21 20 ASP A Protein S 2 FT #SUB 17 16 ASN B 89 88 ILE A Protein S 1 FT #SUB 17 16 ASN B 96 95 TRP A Protein S 1 FT #SUB 19 18 ASN B 19 18 ASN A Protein S 1 FT #SUB 19 18 ASN B 21 20 ASP A Protein S 1 FT #SUB 21 20 ASP B 16 15 LEU A Protein S 3 FT #SUB 24 23 LEU B 13 12 ARG A Protein S 2 FT #SUB 24 23 LEU B 16 15 LEU A Protein S 1 FT #SUB 29 28 TRP B 11 10 CYS A Protein A 4 FT #SUB 29 28 TRP B 13 12 ARG A Protein S 1 FT #SUB 29 28 TRP B 14 13 PRO A Protein S 4 FT #SUB 30 29 ALA B 8 7 GLU A Protein S 4 FT #SUB 30 29 ALA B 9 8 THR A Protein A 3 FT #SUB 30 29 ALA B 11 10 CYS A Protein B 2 FT #SUB 31 30 ARG B 7 6 ARG A Protein B 1 FT #SUB 31 30 ARG B 8 7 GLU A Protein B 3 FT #SUB 31 30 ARG B 9 8 THR A Protein A 8 FT #SUB 31 30 ARG B 11 10 CYS A Protein A 2 FT #SUB 32 31 ASP B 7 6 ARG A Protein B 2 FT #SUB 32 31 ASP B 8 7 GLU A Protein S 7 FT #SUB 33 32 ASN B 5 4 ILE A Protein A 4 FT #SUB 33 32 ASN B 6 5 GLN A Protein B 2 FT #SUB 33 32 ASN B 7 6 ARG A Protein A 5 FT #SUB 34 33 VAL B 5 4 ILE A Protein A 3 FT #SUB 42 41 TYR B 11 10 CYS A Protein S 2 FT #SUB 42 41 TYR B 14 13 PRO A Protein S 5 FT #SUB 43 42 ARG B 8 7 GLU A Protein S 9 FT #SUB 64 63 ASN B 74 73 ASN A Protein S 4 FT #SUB 67 66 THR B 70 69 MSE A Protein S 1 FT #SUB 67 66 THR B 71 70 VAL A Protein S 1 FT #SUB 70 69 MSE B 67 66 THR A Protein S 2 FT #SUB 70 69 MSE B 70 69 MSE A Protein S 1 FT #SUB 71 70 VAL B 67 66 THR A Protein S 1 FT #SUB 71 70 VAL B 71 70 VAL A Protein S 2 FT #SUB 72 71 ARG B 141 140 PRO A Protein S 1 FT #SUB 74 73 ASN B 64 63 ASN A Protein S 4 FT #SUB 74 73 ASN B 90 89 ARG A Protein S 3 FT #SUB 85 84 ILE B 92 91 PRO A Protein B 1 FT #SUB 86 85 LYS B 92 91 PRO A Protein B 1 FT #SUB 87 86 HIS B 89 88 ILE A Protein S 1 FT #SUB 87 86 HIS B 90 89 ARG A Protein B 2 FT #SUB 87 86 HIS B 91 90 THR A Protein S 2 FT #SUB 88 87 PHE B 88 87 PHE A Protein A 5 FT #SUB 88 87 PHE B 89 88 ILE A Protein B 3 FT #SUB 88 87 PHE B 90 89 ARG A Protein A 8 FT #SUB 89 88 ILE B 87 86 HIS A Protein S 1 FT #SUB 89 88 ILE B 88 87 PHE A Protein B 2 FT #SUB 90 89 ARG B 74 73 ASN A Protein S 5 FT #SUB 90 89 ARG B 87 86 HIS A Protein B 3 FT #SUB 90 89 ARG B 88 87 PHE A Protein B 7 FT #SUB 91 90 THR B 17 16 ASN A Protein S 5 FT #SUB 91 90 THR B 87 86 HIS A Protein S 2 FT #SUB 92 91 PRO B 85 84 ILE A Protein S 2 FT #SUB 92 91 PRO B 86 85 LYS A Protein S 2 FT #SUB 96 95 TRP B 15 14 ARG A Protein S 2 FT #SUB 96 95 TRP B 17 16 ASN A Protein S 1 FT #SUB 108 107 PHE B 4 3 HIS A Protein S 21 FT #SUB 109 108 GLN B 6 5 GLN A Protein S 4 FT #SUB 138 137 CYS B 147 146 VAL A Protein A 3 FT #SUB 138 137 CYS B 148 147 PHE A Protein B 7 FT #SUB 138 137 CYS B 151 150 ALA A Protein S 2 FT #SUB 139 138 ASN B 148 147 PHE A Protein B 2 FT #SUB 140 139 CYS B 143 142 ASN A Protein B 3 FT #SUB 140 139 CYS B 148 147 PHE A Protein B 4 FT #SUB 141 140 PRO B 72 71 ARG A Protein B 1 FT #SUB 141 140 PRO B 142 141 PHE A Protein B 3 FT #SUB 141 140 PRO B 143 142 ASN A Protein B 7 FT #SUB 141 140 PRO B 148 147 PHE A Protein A 4 FT #SUB 142 141 PHE B 141 140 PRO A Protein B 2 FT #SUB 143 142 ASN B 140 139 CYS A Protein S 3 FT #SUB 143 142 ASN B 141 140 PRO A Protein A 8 FT #SUB 143 142 ASN B 223 222 ILE A Protein S 1 FT #SUB 147 146 VAL B 138 137 CYS A Protein A 3 FT #SUB 148 147 PHE B 138 137 CYS A Protein A 4 FT #SUB 148 147 PHE B 139 138 ASN A Protein S 2 FT #SUB 148 147 PHE B 140 139 CYS A Protein S 4 FT #SUB 148 147 PHE B 141 140 PRO A Protein S 5 FT #SUB 151 150 ALA B 138 137 CYS A Protein S 3 FT #SUB 165 164 SER B 1 0 GLY A Protein B 2 FT #SUB 203 202 ASP B 4 3 HIS A Protein S 7 FT #SUB 223 222 ILE B 143 142 ASN A Protein S 1 FT #SUB 239 238 GLU B 4 3 HIS A Protein S 5 FT #SUB 59 58 LYS B 113 112 GLU C Protein S 2 FT #SUB 60 59 GLY B 113 112 GLU C Protein B 3 FT #SUB 60 59 GLY B 114 113 TYR C Protein B 4 FT #SUB 61 60 SER B 113 112 GLU C Protein B 1 FT #SUB 61 60 SER B 114 113 TYR C Protein A 5 FT #SUB 61 60 SER B 115 114 PRO C Protein S 5 FT #SUB 61 60 SER B 116 115 ASP C Protein S 9 FT #SUB 93 92 ASP B 113 112 GLU C Protein S 1 FT #SUB 93 92 ASP B 114 113 TYR C Protein S 5 FT #SUB 158 157 ASN B 119 118 GLU C Protein S 3 FT #SUB 158 157 ASN B 241 240 SER C Protein B 3 FT #SUB 158 157 ASN B 243 242 SER C Protein A 9 FT #SUB 158 157 ASN B 244 243 LEU C Protein B 3 FT #SUB 159 158 ASN B 115 114 PRO C Protein S 4 FT #SUB 159 158 ASN B 116 115 ASP C Protein S 3 FT #SUB 159 158 ASN B 118 117 GLY C Protein S 4 FT #SUB 159 158 ASN B 119 118 GLU C Protein S 2 FT #SUB 159 158 ASN B 240 239 PHE C Protein B 1 FT #SUB 160 159 GLY B 240 239 PHE C Protein B 1 FT #SUB 160 159 GLY B 241 240 SER C Protein B 2 FT #SUB 161 160 LEU B 115 114 PRO C Protein S 2 FT #SUB 161 160 LEU B 116 115 ASP C Protein S 1 FT #SUB 173 172 GLY B 28 27 ARG E Protein B 2 FT #SUB 173 172 GLY B 45 44 TYR E Protein B 2 FT #SUB 172 171 ASN B 10 9 SER F Protein B 1 FT #SUB 25 24 TYR B 188 187 PRO I Protein A 7 FT #SUB 25 24 TYR B 189 188 PHE I Protein S 3 FT #SUB 26 25 GLY B 188 187 PRO I Protein B 3 FT #SUB 26 25 GLY B 189 188 PHE I Protein B 1 FT #SUB 28 27 ARG B 260 259 ASN I Protein S 3 FT #SUB 48 47 PRO B 258 257 ASP I Protein S 1 FT #HET 32 31 ASP B 11 302 0JN B S 5 FT #HET 34 33 VAL B 11 302 0JN B S 1 FT #HET 36 35 GLN B 10 301 KAN B A 5 FT #HET 41 40 ILE B 11 302 0JN B S 2 FT #HET 43 42 ARG B 11 302 0JN B S 1 FT #HET 54 53 PHE B 11 302 0JN B S 19 FT #HET 56 55 LYS B 11 302 0JN B S 1 FT #HET 83 82 PRO B 11 302 0JN B S 1 FT #HET 100 99 THR B 11 302 0JN B B 1 FT #HET 101 100 ALA B 11 302 0JN B B 3 FT #HET 102 101 ILE B 11 302 0JN B A 8 FT #HET 104 103 GLY B 11 302 0JN B B 1 FT #HET 110 109 VAL B 12 303 ACT B S 3 FT #HET 114 113 TYR B 12 303 ACT B S 3 FT #HET 117 116 SER B 12 303 ACT B S 2 FT #HET 130 129 ARG B 13 304 PEG B S 2 FT #HET 133 132 HIS B 13 304 PEG B A 6 FT #HET 134 133 SER B 13 304 PEG B A 3 FT #HET 166 165 ASP B 10 301 KAN B A 11 FT #HET 167 166 PHE B 10 301 KAN B B 4 FT #HET 168 167 ASP B 10 301 KAN B A 11 FT #HET 199 198 ASP B 10 301 KAN B S 4 FT #HET 206 205 ILE B 11 302 0JN B S 2 FT #HET 210 209 GLY B 12 303 ACT B B 4 FT #HET 216 215 ILE B 11 302 0JN B S 10 FT #HET 217 216 ASP B 11 302 0JN B S 3 FT #HET 220 219 ARG B 10 301 KAN B S 3 FT #HET 226 225 ARG B 13 304 PEG B S 5 FT #HET 235 234 ASN B 10 301 KAN B A 4 FT #HET 236 235 CYS B 10 301 KAN B A 4 FT #HET 252 251 TYR B 13 304 PEG B A 4 FT #HET 269 268 ASP B 10 301 KAN B A 6 FT #HET 270 269 GLU B 10 301 KAN B S 4 FT #HET 272 271 PHE B 10 301 KAN B B 12 FT DISORDER 1 15 CC SEQUENCE 257 AA (ATOM); CC LNSNLDADLY GYRWARDNVG QSGATIYRLY GKPNAPELFL KHGKGSVAND VTDEMVRLNW CC LTAFMPLPTI KHFIRTPDDA WLLTTAIPGK TAFQVLEEYP DSGENIVDAL AVFLRRLHSI CC PVCNCPFNSD RVFRLAQAQS RMNNGLVDAS DFDDERNGWP VEQVWKEMHK LLPFSPDSVV CC THGDFSLDNL IFDEGKLIGC IDVGRVGIAD RYQDLAILWN CLGEFSPSLQ KRLFQKYGID CC NPDMNKLQFH LMLDEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM ---------------LNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC *********************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIC STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 113 112 GLU C 59 58 LYS B Protein S 2 FT #SUB 113 112 GLU C 60 59 GLY B Protein A 3 FT #SUB 113 112 GLU C 61 60 SER B Protein B 1 FT #SUB 113 112 GLU C 93 92 ASP B Protein S 1 FT #SUB 114 113 TYR C 60 59 GLY B Protein S 4 FT #SUB 114 113 TYR C 61 60 SER B Protein A 5 FT #SUB 114 113 TYR C 93 92 ASP B Protein S 5 FT #SUB 115 114 PRO C 61 60 SER B Protein A 5 FT #SUB 115 114 PRO C 159 158 ASN B Protein B 4 FT #SUB 115 114 PRO C 161 160 LEU B Protein A 2 FT #SUB 116 115 ASP C 61 60 SER B Protein A 9 FT #SUB 116 115 ASP C 159 158 ASN B Protein B 3 FT #SUB 116 115 ASP C 161 160 LEU B Protein S 1 FT #SUB 118 117 GLY C 159 158 ASN B Protein B 4 FT #SUB 119 118 GLU C 158 157 ASN B Protein S 3 FT #SUB 119 118 GLU C 159 158 ASN B Protein A 2 FT #SUB 240 239 PHE C 159 158 ASN B Protein B 1 FT #SUB 240 239 PHE C 160 159 GLY B Protein B 1 FT #SUB 241 240 SER C 158 157 ASN B Protein S 3 FT #SUB 241 240 SER C 160 159 GLY B Protein S 2 FT #SUB 243 242 SER C 158 157 ASN B Protein S 9 FT #SUB 244 243 LEU C 158 157 ASN B Protein A 3 FT #SUB 1 0 GLY C 165 164 SER D Protein B 1 FT #SUB 1 0 GLY C 166 165 ASP D Protein B 6 FT #SUB 4 3 HIS C 108 107 PHE D Protein S 21 FT #SUB 4 3 HIS C 203 202 ASP D Protein A 7 FT #SUB 4 3 HIS C 239 238 GLU D Protein S 6 FT #SUB 5 4 ILE C 33 32 ASN D Protein A 3 FT #SUB 5 4 ILE C 34 33 VAL D Protein B 4 FT #SUB 5 4 ILE C 35 34 GLY D Protein S 1 FT #SUB 6 5 GLN C 33 32 ASN D Protein B 3 FT #SUB 6 5 GLN C 109 108 GLN D Protein S 4 FT #SUB 7 6 ARG C 31 30 ARG D Protein B 1 FT #SUB 7 6 ARG C 32 31 ASP D Protein B 2 FT #SUB 7 6 ARG C 33 32 ASN D Protein A 9 FT #SUB 8 7 GLU C 30 29 ALA D Protein S 3 FT #SUB 8 7 GLU C 31 30 ARG D Protein A 4 FT #SUB 8 7 GLU C 32 31 ASP D Protein A 7 FT #SUB 8 7 GLU C 43 42 ARG D Protein S 9 FT #SUB 9 8 THR C 30 29 ALA D Protein B 3 FT #SUB 9 8 THR C 31 30 ARG D Protein A 8 FT #SUB 11 10 CYS C 29 28 TRP D Protein B 1 FT #SUB 11 10 CYS C 30 29 ALA D Protein S 2 FT #SUB 11 10 CYS C 31 30 ARG D Protein S 1 FT #SUB 11 10 CYS C 42 41 TYR D Protein S 2 FT #SUB 13 12 ARG C 21 20 ASP D Protein S 4 FT #SUB 14 13 PRO C 29 28 TRP D Protein S 5 FT #SUB 14 13 PRO C 42 41 TYR D Protein S 5 FT #SUB 15 14 ARG C 96 95 TRP D Protein B 2 FT #SUB 16 15 LEU C 20 19 LEU D Protein S 1 FT #SUB 16 15 LEU C 21 20 ASP D Protein S 1 FT #SUB 17 16 ASN C 20 19 LEU D Protein S 1 FT #SUB 17 16 ASN C 89 88 ILE D Protein S 4 FT #SUB 17 16 ASN C 96 95 TRP D Protein S 4 FT #SUB 19 18 ASN C 19 18 ASN D Protein S 7 FT #SUB 64 63 ASN C 74 73 ASN D Protein S 4 FT #SUB 67 66 THR C 70 69 MSE D Protein S 2 FT #SUB 70 69 MSE C 67 66 THR D Protein S 1 FT #SUB 70 69 MSE C 70 69 MSE D Protein S 1 FT #SUB 71 70 VAL C 67 66 THR D Protein S 1 FT #SUB 71 70 VAL C 71 70 VAL D Protein S 1 FT #SUB 72 71 ARG C 141 140 PRO D Protein S 2 FT #SUB 74 73 ASN C 64 63 ASN D Protein S 4 FT #SUB 74 73 ASN C 90 89 ARG D Protein S 5 FT #SUB 85 84 ILE C 92 91 PRO D Protein B 1 FT #SUB 86 85 LYS C 91 90 THR D Protein B 1 FT #SUB 86 85 LYS C 92 91 PRO D Protein B 1 FT #SUB 87 86 HIS C 89 88 ILE D Protein S 1 FT #SUB 87 86 HIS C 90 89 ARG D Protein A 3 FT #SUB 87 86 HIS C 91 90 THR D Protein S 2 FT #SUB 88 87 PHE C 88 87 PHE D Protein A 5 FT #SUB 88 87 PHE C 89 88 ILE D Protein B 3 FT #SUB 88 87 PHE C 90 89 ARG D Protein B 5 FT #SUB 89 88 ILE C 87 86 HIS D Protein S 1 FT #SUB 89 88 ILE C 88 87 PHE D Protein A 3 FT #SUB 90 89 ARG C 74 73 ASN D Protein S 4 FT #SUB 90 89 ARG C 87 86 HIS D Protein B 3 FT #SUB 90 89 ARG C 88 87 PHE D Protein A 8 FT #SUB 91 90 THR C 87 86 HIS D Protein S 1 FT #SUB 92 91 PRO C 85 84 ILE D Protein S 1 FT #SUB 92 91 PRO C 86 85 LYS D Protein S 1 FT #SUB 138 137 CYS C 147 146 VAL D Protein A 3 FT #SUB 138 137 CYS C 148 147 PHE D Protein B 3 FT #SUB 138 137 CYS C 151 150 ALA D Protein A 3 FT #SUB 139 138 ASN C 148 147 PHE D Protein B 1 FT #SUB 140 139 CYS C 143 142 ASN D Protein B 4 FT #SUB 140 139 CYS C 148 147 PHE D Protein B 4 FT #SUB 141 140 PRO C 72 71 ARG D Protein A 2 FT #SUB 141 140 PRO C 142 141 PHE D Protein B 3 FT #SUB 141 140 PRO C 143 142 ASN D Protein B 8 FT #SUB 141 140 PRO C 148 147 PHE D Protein A 4 FT #SUB 142 141 PHE C 141 140 PRO D Protein A 3 FT #SUB 143 142 ASN C 140 139 CYS D Protein S 3 FT #SUB 143 142 ASN C 141 140 PRO D Protein A 8 FT #SUB 143 142 ASN C 223 222 ILE D Protein S 1 FT #SUB 147 146 VAL C 138 137 CYS D Protein A 3 FT #SUB 148 147 PHE C 138 137 CYS D Protein A 2 FT #SUB 148 147 PHE C 140 139 CYS D Protein S 3 FT #SUB 148 147 PHE C 141 140 PRO D Protein S 4 FT #SUB 151 150 ALA C 138 137 CYS D Protein S 2 FT #SUB 223 222 ILE C 143 142 ASN D Protein S 1 FT #SUB 169 168 ASP C 48 47 PRO E Protein S 1 FT #SUB 169 168 ASP C 49 48 ASN E Protein S 1 FT #SUB 170 169 GLU C 49 48 ASN E Protein S 5 FT #SUB 255 254 ASP C 28 27 ARG G Protein S 5 FT #HET 3 2 SER C 22 301 KAN D S 4 FT #HET 4 3 HIS C 22 301 KAN D S 3 FT #HET 6 5 GLN C 23 302 0JN D S 7 FT #HET 54 53 PHE C 15 302 0JN C S 13 FT #HET 77 76 THR C 16 303 NA C A 5 FT #HET 77 76 THR C 21 308 ACT C B 2 FT #HET 78 77 ALA C 21 308 ACT C B 1 FT #HET 79 78 PHE C 21 308 ACT C B 1 FT #HET 80 79 MSE C 16 303 NA C B 2 FT #HET 80 79 MSE C 21 308 ACT C B 8 FT #HET 81 80 PRO C 16 303 NA C B 1 FT #HET 81 80 PRO C 21 308 ACT C A 5 FT #HET 83 82 PRO C 15 302 0JN C S 1 FT #HET 100 99 THR C 15 302 0JN C B 1 FT #HET 101 100 ALA C 15 302 0JN C B 3 FT #HET 102 101 ILE C 15 302 0JN C A 10 FT #HET 104 103 GLY C 15 302 0JN C B 2 FT #HET 110 109 VAL C 18 305 ACT C S 1 FT #HET 114 113 TYR C 18 305 ACT C S 3 FT #HET 117 116 SER C 18 305 ACT C S 2 FT #HET 121 120 ILE C 18 305 ACT C S 1 FT #HET 131 130 ARG C 21 308 ACT C S 1 FT #HET 166 165 ASP C 14 301 KAN C A 10 FT #HET 167 166 PHE C 14 301 KAN C B 3 FT #HET 168 167 ASP C 14 301 KAN C A 12 FT #HET 185 184 LYS C 20 307 ACT C B 3 FT #HET 186 185 LEU C 20 307 ACT C B 7 FT #HET 187 186 LEU C 20 307 ACT C B 2 FT #HET 188 187 PRO C 20 307 ACT C B 2 FT #HET 199 198 ASP C 14 301 KAN C S 4 FT #HET 210 209 GLY C 18 305 ACT C B 1 FT #HET 216 215 ILE C 15 302 0JN C S 10 FT #HET 234 233 TRP C 17 304 NA C S 1 FT #HET 234 233 TRP C 19 306 ACT C S 2 FT #HET 235 234 ASN C 14 301 KAN C A 7 FT #HET 235 234 ASN C 17 304 NA C S 2 FT #HET 236 235 CYS C 14 301 KAN C A 4 FT #HET 239 238 GLU C 14 301 KAN C S 8 FT #HET 259 258 MSE C 19 306 ACT C B 1 FT #HET 260 259 ASN C 20 307 ACT C S 4 FT #HET 262 261 LEU C 19 306 ACT C S 1 FT #HET 263 262 GLN C 19 306 ACT C A 6 FT #HET 266 265 LEU C 19 306 ACT C S 2 FT #HET 269 268 ASP C 14 301 KAN C A 7 FT #HET 270 269 GLU C 14 301 KAN C S 5 FT #HET 272 271 PHE C 14 301 KAN C B 11 CC SEQUENCE 272 AA (ATOM); CC GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG CC SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN CC IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW CC KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF CC SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ************************************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKID STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 19 18 ASN D 19 18 ASN C Protein S 7 FT #SUB 20 19 LEU D 16 15 LEU C Protein S 1 FT #SUB 20 19 LEU D 17 16 ASN C Protein S 1 FT #SUB 21 20 ASP D 13 12 ARG C Protein A 4 FT #SUB 21 20 ASP D 16 15 LEU C Protein S 1 FT #SUB 29 28 TRP D 11 10 CYS C Protein B 1 FT #SUB 29 28 TRP D 14 13 PRO C Protein S 5 FT #SUB 30 29 ALA D 8 7 GLU C Protein S 3 FT #SUB 30 29 ALA D 9 8 THR C Protein A 3 FT #SUB 30 29 ALA D 11 10 CYS C Protein B 2 FT #SUB 31 30 ARG D 7 6 ARG C Protein B 1 FT #SUB 31 30 ARG D 8 7 GLU C Protein B 4 FT #SUB 31 30 ARG D 9 8 THR C Protein A 8 FT #SUB 31 30 ARG D 11 10 CYS C Protein B 1 FT #SUB 32 31 ASP D 7 6 ARG C Protein B 2 FT #SUB 32 31 ASP D 8 7 GLU C Protein S 7 FT #SUB 33 32 ASN D 5 4 ILE C Protein B 3 FT #SUB 33 32 ASN D 6 5 GLN C Protein B 3 FT #SUB 33 32 ASN D 7 6 ARG C Protein A 9 FT #SUB 34 33 VAL D 5 4 ILE C Protein A 4 FT #SUB 35 34 GLY D 5 4 ILE C Protein B 1 FT #SUB 42 41 TYR D 11 10 CYS C Protein S 2 FT #SUB 42 41 TYR D 14 13 PRO C Protein S 5 FT #SUB 43 42 ARG D 8 7 GLU C Protein S 9 FT #SUB 64 63 ASN D 74 73 ASN C Protein S 4 FT #SUB 67 66 THR D 70 69 MSE C Protein S 1 FT #SUB 67 66 THR D 71 70 VAL C Protein S 1 FT #SUB 70 69 MSE D 67 66 THR C Protein S 2 FT #SUB 70 69 MSE D 70 69 MSE C Protein S 1 FT #SUB 71 70 VAL D 71 70 VAL C Protein S 1 FT #SUB 72 71 ARG D 141 140 PRO C Protein S 2 FT #SUB 74 73 ASN D 64 63 ASN C Protein S 4 FT #SUB 74 73 ASN D 90 89 ARG C Protein S 4 FT #SUB 85 84 ILE D 92 91 PRO C Protein B 1 FT #SUB 86 85 LYS D 92 91 PRO C Protein B 1 FT #SUB 87 86 HIS D 89 88 ILE C Protein S 1 FT #SUB 87 86 HIS D 90 89 ARG C Protein A 3 FT #SUB 87 86 HIS D 91 90 THR C Protein S 1 FT #SUB 88 87 PHE D 88 87 PHE C Protein A 5 FT #SUB 88 87 PHE D 89 88 ILE C Protein B 3 FT #SUB 88 87 PHE D 90 89 ARG C Protein A 8 FT #SUB 89 88 ILE D 17 16 ASN C Protein S 4 FT #SUB 89 88 ILE D 87 86 HIS C Protein S 1 FT #SUB 89 88 ILE D 88 87 PHE C Protein A 3 FT #SUB 90 89 ARG D 74 73 ASN C Protein S 5 FT #SUB 90 89 ARG D 87 86 HIS C Protein B 3 FT #SUB 90 89 ARG D 88 87 PHE C Protein B 5 FT #SUB 91 90 THR D 86 85 LYS C Protein B 1 FT #SUB 91 90 THR D 87 86 HIS C Protein S 2 FT #SUB 92 91 PRO D 85 84 ILE C Protein S 1 FT #SUB 92 91 PRO D 86 85 LYS C Protein S 1 FT #SUB 96 95 TRP D 15 14 ARG C Protein S 2 FT #SUB 96 95 TRP D 17 16 ASN C Protein S 4 FT #SUB 108 107 PHE D 4 3 HIS C Protein S 21 FT #SUB 109 108 GLN D 6 5 GLN C Protein S 4 FT #SUB 138 137 CYS D 147 146 VAL C Protein A 3 FT #SUB 138 137 CYS D 148 147 PHE C Protein B 2 FT #SUB 138 137 CYS D 151 150 ALA C Protein S 2 FT #SUB 140 139 CYS D 143 142 ASN C Protein B 3 FT #SUB 140 139 CYS D 148 147 PHE C Protein B 3 FT #SUB 141 140 PRO D 72 71 ARG C Protein A 2 FT #SUB 141 140 PRO D 142 141 PHE C Protein B 3 FT #SUB 141 140 PRO D 143 142 ASN C Protein B 8 FT #SUB 141 140 PRO D 148 147 PHE C Protein A 4 FT #SUB 142 141 PHE D 141 140 PRO C Protein A 3 FT #SUB 143 142 ASN D 140 139 CYS C Protein S 4 FT #SUB 143 142 ASN D 141 140 PRO C Protein A 8 FT #SUB 143 142 ASN D 223 222 ILE C Protein S 1 FT #SUB 147 146 VAL D 138 137 CYS C Protein A 3 FT #SUB 148 147 PHE D 138 137 CYS C Protein A 3 FT #SUB 148 147 PHE D 139 138 ASN C Protein S 1 FT #SUB 148 147 PHE D 140 139 CYS C Protein S 4 FT #SUB 148 147 PHE D 141 140 PRO C Protein S 4 FT #SUB 151 150 ALA D 138 137 CYS C Protein S 3 FT #SUB 165 164 SER D 1 0 GLY C Protein B 1 FT #SUB 166 165 ASP D 1 0 GLY C Protein A 6 FT #SUB 203 202 ASP D 4 3 HIS C Protein S 7 FT #SUB 223 222 ILE D 143 142 ASN C Protein S 1 FT #SUB 239 238 GLU D 4 3 HIS C Protein S 6 FT #SUB 188 187 PRO D 21 20 ASP H Protein S 1 FT #SUB 188 187 PRO D 25 24 TYR H Protein S 1 FT #SUB 189 188 PHE D 25 24 TYR H Protein B 5 FT #SUB 190 189 SER D 25 24 TYR H Protein A 5 FT #SUB 191 190 PRO D 25 24 TYR H Protein S 1 FT #SUB 256 255 ASN D 48 47 PRO H Protein S 3 FT #SUB 154 153 GLN D 112 111 GLU K Protein S 6 FT #SUB 154 153 GLN D 113 112 GLU K Protein S 8 FT #SUB 177 176 GLU D 112 111 GLU K Protein S 3 FT #HET 32 31 ASP D 23 302 0JN D S 5 FT #HET 41 40 ILE D 23 302 0JN D S 1 FT #HET 43 42 ARG D 23 302 0JN D S 1 FT #HET 54 53 PHE D 23 302 0JN D S 19 FT #HET 77 76 THR D 24 303 NA D A 5 FT #HET 77 76 THR D 25 304 ACT D B 3 FT #HET 78 77 ALA D 25 304 ACT D B 2 FT #HET 79 78 PHE D 25 304 ACT D B 4 FT #HET 80 79 MSE D 24 303 NA D B 2 FT #HET 80 79 MSE D 25 304 ACT D B 10 FT #HET 81 80 PRO D 24 303 NA D B 1 FT #HET 81 80 PRO D 25 304 ACT D A 5 FT #HET 82 81 LEU D 24 303 NA D B 1 FT #HET 83 82 PRO D 23 302 0JN D S 1 FT #HET 101 100 ALA D 23 302 0JN D B 3 FT #HET 102 101 ILE D 23 302 0JN D A 7 FT #HET 104 103 GLY D 23 302 0JN D B 1 FT #HET 114 113 TYR D 26 305 ACT D S 2 FT #HET 117 116 SER D 26 305 ACT D S 4 FT #HET 166 165 ASP D 22 301 KAN D A 10 FT #HET 167 166 PHE D 22 301 KAN D B 3 FT #HET 168 167 ASP D 22 301 KAN D A 12 FT #HET 199 198 ASP D 22 301 KAN D S 3 FT #HET 206 205 ILE D 23 302 0JN D S 1 FT #HET 210 209 GLY D 26 305 ACT D B 1 FT #HET 216 215 ILE D 23 302 0JN D S 9 FT #HET 217 216 ASP D 23 302 0JN D S 1 FT #HET 235 234 ASN D 22 301 KAN D A 3 FT #HET 236 235 CYS D 22 301 KAN D A 4 FT #HET 239 238 GLU D 22 301 KAN D S 7 FT #HET 269 268 ASP D 22 301 KAN D A 7 FT #HET 270 269 GLU D 22 301 KAN D S 5 FT #HET 272 271 PHE D 22 301 KAN D B 11 FT DISORDER 1 18 CC SEQUENCE 254 AA (ATOM); CC NLDADLYGYR WARDNVGQSG ATIYRLYGKP NAPELFLKHG KGSVANDVTD EMVRLNWLTA CC FMPLPTIKHF IRTPDDAWLL TTAIPGKTAF QVLEEYPDSG ENIVDALAVF LRRLHSIPVC CC NCPFNSDRVF RLAQAQSRMN NGLVDASDFD DERNGWPVEQ VWKEMHKLLP FSPDSVVTHG CC DFSLDNLIFD EGKLIGCIDV GRVGIADRYQ DLAILWNCLG EFSPSLQKRL FQKYGIDNPD CC MNKLQFHLML DEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM ------------------NLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ******************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIE STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 28 27 ARG E 173 172 GLY B Protein S 2 FT #SUB 45 44 TYR E 173 172 GLY B Protein S 2 FT #SUB 48 47 PRO E 169 168 ASP C Protein S 1 FT #SUB 49 48 ASN E 169 168 ASP C Protein S 1 FT #SUB 49 48 ASN E 170 169 GLU C Protein S 5 FT #SUB 7 6 ARG E 31 30 ARG F Protein B 1 FT #SUB 7 6 ARG E 32 31 ASP F Protein A 3 FT #SUB 7 6 ARG E 33 32 ASN F Protein A 10 FT #SUB 8 7 GLU E 30 29 ALA F Protein S 3 FT #SUB 8 7 GLU E 31 30 ARG F Protein A 4 FT #SUB 8 7 GLU E 32 31 ASP F Protein S 6 FT #SUB 8 7 GLU E 43 42 ARG F Protein S 7 FT #SUB 9 8 THR E 30 29 ALA F Protein B 3 FT #SUB 9 8 THR E 31 30 ARG F Protein A 8 FT #SUB 10 9 SER E 29 28 TRP F Protein B 2 FT #SUB 10 9 SER E 31 30 ARG F Protein B 1 FT #SUB 11 10 CYS E 29 28 TRP F Protein A 8 FT #SUB 13 12 ARG E 21 20 ASP F Protein S 1 FT #SUB 13 12 ARG E 24 23 LEU F Protein S 8 FT #SUB 13 12 ARG E 25 24 TYR F Protein S 6 FT #SUB 13 12 ARG E 26 25 GLY F Protein S 1 FT #SUB 13 12 ARG E 29 28 TRP F Protein S 9 FT #SUB 14 13 PRO E 42 41 TYR F Protein S 4 FT #SUB 15 14 ARG E 21 20 ASP F Protein S 5 FT #SUB 15 14 ARG E 96 95 TRP F Protein B 2 FT #SUB 16 15 LEU E 89 88 ILE F Protein S 1 FT #SUB 18 17 SER E 91 90 THR F Protein S 2 FT #SUB 19 18 ASN E 21 20 ASP F Protein S 1 FT #SUB 21 20 ASP E 13 12 ARG F Protein B 2 FT #SUB 24 23 LEU E 13 12 ARG F Protein S 2 FT #SUB 29 28 TRP E 11 10 CYS F Protein A 2 FT #SUB 29 28 TRP E 13 12 ARG F Protein S 5 FT #SUB 29 28 TRP E 14 13 PRO F Protein S 4 FT #SUB 30 29 ALA E 8 7 GLU F Protein S 3 FT #SUB 30 29 ALA E 9 8 THR F Protein A 3 FT #SUB 30 29 ALA E 11 10 CYS F Protein B 3 FT #SUB 31 30 ARG E 8 7 GLU F Protein B 3 FT #SUB 31 30 ARG E 9 8 THR F Protein A 13 FT #SUB 31 30 ARG E 11 10 CYS F Protein A 4 FT #SUB 32 31 ASP E 7 6 ARG F Protein B 1 FT #SUB 32 31 ASP E 8 7 GLU F Protein S 5 FT #SUB 33 32 ASN E 5 4 ILE F Protein S 1 FT #SUB 33 32 ASN E 7 6 ARG F Protein B 1 FT #SUB 42 41 TYR E 11 10 CYS F Protein S 1 FT #SUB 42 41 TYR E 14 13 PRO F Protein S 4 FT #SUB 43 42 ARG E 8 7 GLU F Protein S 10 FT #SUB 64 63 ASN E 74 73 ASN F Protein S 4 FT #SUB 67 66 THR E 70 69 MSE F Protein S 2 FT #SUB 67 66 THR E 71 70 VAL F Protein S 1 FT #SUB 70 69 MSE E 67 66 THR F Protein S 1 FT #SUB 70 69 MSE E 70 69 MSE F Protein S 1 FT #SUB 71 70 VAL E 67 66 THR F Protein S 1 FT #SUB 71 70 VAL E 71 70 VAL F Protein S 2 FT #SUB 72 71 ARG E 141 140 PRO F Protein S 1 FT #SUB 74 73 ASN E 64 63 ASN F Protein S 4 FT #SUB 74 73 ASN E 90 89 ARG F Protein S 4 FT #SUB 85 84 ILE E 92 91 PRO F Protein B 1 FT #SUB 86 85 LYS E 92 91 PRO F Protein B 1 FT #SUB 87 86 HIS E 89 88 ILE F Protein S 1 FT #SUB 87 86 HIS E 90 89 ARG F Protein A 3 FT #SUB 87 86 HIS E 91 90 THR F Protein S 1 FT #SUB 88 87 PHE E 88 87 PHE F Protein A 5 FT #SUB 88 87 PHE E 89 88 ILE F Protein B 3 FT #SUB 88 87 PHE E 90 89 ARG F Protein B 3 FT #SUB 89 88 ILE E 87 86 HIS F Protein S 1 FT #SUB 89 88 ILE E 88 87 PHE F Protein A 3 FT #SUB 90 89 ARG E 74 73 ASN F Protein S 4 FT #SUB 90 89 ARG E 87 86 HIS F Protein B 2 FT #SUB 90 89 ARG E 88 87 PHE F Protein A 7 FT #SUB 91 90 THR E 86 85 LYS F Protein B 1 FT #SUB 91 90 THR E 87 86 HIS F Protein S 2 FT #SUB 92 91 PRO E 85 84 ILE F Protein S 1 FT #SUB 92 91 PRO E 86 85 LYS F Protein S 1 FT #SUB 96 95 TRP E 15 14 ARG F Protein S 2 FT #SUB 96 95 TRP E 16 15 LEU F Protein S 5 FT #SUB 108 107 PHE E 4 3 HIS F Protein S 11 FT #SUB 109 108 GLN E 6 5 GLN F Protein S 2 FT #SUB 138 137 CYS E 147 146 VAL F Protein A 3 FT #SUB 138 137 CYS E 148 147 PHE F Protein B 3 FT #SUB 139 138 ASN E 148 147 PHE F Protein B 2 FT #SUB 140 139 CYS E 143 142 ASN F Protein B 3 FT #SUB 140 139 CYS E 148 147 PHE F Protein B 5 FT #SUB 141 140 PRO E 141 140 PRO F Protein B 1 FT #SUB 141 140 PRO E 142 141 PHE F Protein B 2 FT #SUB 141 140 PRO E 143 142 ASN F Protein B 7 FT #SUB 141 140 PRO E 148 147 PHE F Protein A 5 FT #SUB 142 141 PHE E 141 140 PRO F Protein A 3 FT #SUB 143 142 ASN E 140 139 CYS F Protein S 3 FT #SUB 143 142 ASN E 141 140 PRO F Protein A 8 FT #SUB 143 142 ASN E 223 222 ILE F Protein S 1 FT #SUB 147 146 VAL E 138 137 CYS F Protein A 3 FT #SUB 148 147 PHE E 138 137 CYS F Protein A 3 FT #SUB 148 147 PHE E 139 138 ASN F Protein S 1 FT #SUB 148 147 PHE E 140 139 CYS F Protein S 4 FT #SUB 148 147 PHE E 141 140 PRO F Protein S 4 FT #SUB 151 150 ALA E 138 137 CYS F Protein S 3 FT #SUB 203 202 ASP E 4 3 HIS F Protein S 6 FT #SUB 223 222 ILE E 143 142 ASN F Protein S 1 FT #SUB 130 129 ARG E 165 164 SER G Protein S 1 FT #SUB 130 129 ARG E 166 165 ASP G Protein S 6 FT #SUB 131 130 ARG E 34 33 VAL G Protein S 3 FT #SUB 131 130 ARG E 35 34 GLY G Protein S 5 FT #SUB 133 132 HIS E 165 164 SER G Protein B 3 FT #SUB 134 133 SER E 163 162 ASP G Protein S 2 FT #SUB 134 133 SER E 165 164 SER G Protein A 3 FT #SUB 192 191 ASP E 172 171 ASN G Protein S 5 FT #SUB 211 210 LYS E 34 33 VAL G Protein S 5 FT #SUB 226 225 ARG E 165 164 SER G Protein S 3 FT #SUB 226 225 ARG E 172 171 ASN G Protein S 3 FT #SUB 247 246 ARG E 108 107 PHE G Protein S 1 FT #SUB 247 246 ARG E 112 111 GLU G Protein S 4 FT #SUB 250 249 GLN E 108 107 PHE G Protein B 1 FT #SUB 250 249 GLN E 112 111 GLU G Protein S 8 FT #SUB 250 249 GLN E 239 238 GLU G Protein A 7 FT #SUB 250 249 GLN E 240 239 PHE G Protein S 2 FT #SUB 251 250 LYS E 108 107 PHE G Protein A 5 FT #SUB 251 250 LYS E 203 202 ASP G Protein S 1 FT #SUB 253 252 GLY E 239 238 GLU G Protein B 2 FT #SUB 255 254 ASP E 238 237 GLY G Protein A 11 FT #SUB 255 254 ASP E 239 238 GLU G Protein S 7 FT #HET 7 6 ARG E 36 302 0JN F S 3 FT #HET 31 30 ARG E 32 306 ACT E S 6 FT #HET 32 31 ASP E 28 302 0JN E S 6 FT #HET 36 35 GLN E 27 301 KAN E A 7 FT #HET 40 39 THR E 32 306 ACT E S 2 FT #HET 41 40 ILE E 28 302 0JN E S 1 FT #HET 43 42 ARG E 28 302 0JN E S 2 FT #HET 54 53 PHE E 28 302 0JN E S 20 FT #HET 77 76 THR E 29 303 NA E A 5 FT #HET 77 76 THR E 33 307 ACT E B 3 FT #HET 78 77 ALA E 33 307 ACT E B 2 FT #HET 79 78 PHE E 33 307 ACT E B 4 FT #HET 80 79 MSE E 29 303 NA E B 2 FT #HET 80 79 MSE E 33 307 ACT E B 10 FT #HET 81 80 PRO E 29 303 NA E B 1 FT #HET 81 80 PRO E 33 307 ACT E A 4 FT #HET 83 82 PRO E 28 302 0JN E S 1 FT #HET 100 99 THR E 28 302 0JN E B 1 FT #HET 101 100 ALA E 28 302 0JN E B 3 FT #HET 102 101 ILE E 28 302 0JN E A 8 FT #HET 104 103 GLY E 28 302 0JN E B 1 FT #HET 110 109 VAL E 34 308 ACT E S 2 FT #HET 117 116 SER E 34 308 ACT E S 2 FT #HET 121 120 ILE E 34 308 ACT E S 1 FT #HET 166 165 ASP E 27 301 KAN E A 9 FT #HET 167 166 PHE E 27 301 KAN E B 3 FT #HET 168 167 ASP E 27 301 KAN E A 11 FT #HET 169 168 ASP E 30 304 ACT E B 3 FT #HET 170 169 GLU E 30 304 ACT E B 2 FT #HET 172 171 ASN E 30 304 ACT E B 3 FT #HET 174 173 TRP E 30 304 ACT E S 1 FT #HET 199 198 ASP E 27 301 KAN E S 4 FT #HET 206 205 ILE E 28 302 0JN E S 1 FT #HET 210 209 GLY E 34 308 ACT E B 2 FT #HET 216 215 ILE E 28 302 0JN E S 9 FT #HET 217 216 ASP E 28 302 0JN E S 2 FT #HET 220 219 ARG E 27 301 KAN E S 3 FT #HET 234 233 TRP E 31 305 ACT E S 2 FT #HET 235 234 ASN E 27 301 KAN E A 5 FT #HET 236 235 CYS E 27 301 KAN E A 4 FT #HET 239 238 GLU E 27 301 KAN E S 5 FT #HET 253 252 GLY E 39 301 KAN G B 4 FT #HET 255 254 ASP E 39 301 KAN G S 1 FT #HET 255 254 ASP E 42 304 NA G S 1 FT #HET 259 258 MSE E 31 305 ACT E S 1 FT #HET 262 261 LEU E 31 305 ACT E S 2 FT #HET 266 265 LEU E 31 305 ACT E S 1 FT #HET 269 268 ASP E 27 301 KAN E A 7 FT #HET 270 269 GLU E 27 301 KAN E S 5 FT #HET 272 271 PHE E 27 301 KAN E B 11 FT DISORDER 1 6 CC SEQUENCE 266 AA (ATOM); CC RETSCSRPRL NSNLDADLYG YRWARDNVGQ SGATIYRLYG KPNAPELFLK HGKGSVANDV CC TDEMVRLNWL TAFMPLPTIK HFIRTPDDAW LLTTAIPGKT AFQVLEEYPD SGENIVDALA CC VFLRRLHSIP VCNCPFNSDR VFRLAQAQSR MNNGLVDASD FDDERNGWPV EQVWKEMHKL CC LPFSPDSVVT HGDFSLDNLI FDEGKLIGCI DVGRVGIADR YQDLAILWNC LGEFSPSLQK CC RLFQKYGIDN PDMNKLQFHL MLDEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM ------RETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ******************************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIF STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 10 9 SER F 172 171 ASN B Protein S 1 FT #SUB 4 3 HIS F 108 107 PHE E Protein A 11 FT #SUB 4 3 HIS F 203 202 ASP E Protein S 6 FT #SUB 5 4 ILE F 33 32 ASN E Protein S 1 FT #SUB 6 5 GLN F 109 108 GLN E Protein S 2 FT #SUB 7 6 ARG F 32 31 ASP E Protein B 1 FT #SUB 7 6 ARG F 33 32 ASN E Protein B 1 FT #SUB 8 7 GLU F 30 29 ALA E Protein S 3 FT #SUB 8 7 GLU F 31 30 ARG E Protein A 3 FT #SUB 8 7 GLU F 32 31 ASP E Protein S 5 FT #SUB 8 7 GLU F 43 42 ARG E Protein S 10 FT #SUB 9 8 THR F 30 29 ALA E Protein B 3 FT #SUB 9 8 THR F 31 30 ARG E Protein A 13 FT #SUB 11 10 CYS F 29 28 TRP E Protein A 2 FT #SUB 11 10 CYS F 30 29 ALA E Protein S 3 FT #SUB 11 10 CYS F 31 30 ARG E Protein S 4 FT #SUB 11 10 CYS F 42 41 TYR E Protein S 1 FT #SUB 13 12 ARG F 21 20 ASP E Protein S 2 FT #SUB 13 12 ARG F 24 23 LEU E Protein S 2 FT #SUB 13 12 ARG F 29 28 TRP E Protein S 5 FT #SUB 14 13 PRO F 29 28 TRP E Protein S 4 FT #SUB 14 13 PRO F 42 41 TYR E Protein S 4 FT #SUB 15 14 ARG F 96 95 TRP E Protein B 2 FT #SUB 16 15 LEU F 96 95 TRP E Protein S 5 FT #SUB 21 20 ASP F 13 12 ARG E Protein B 1 FT #SUB 21 20 ASP F 15 14 ARG E Protein A 5 FT #SUB 21 20 ASP F 19 18 ASN E Protein S 1 FT #SUB 24 23 LEU F 13 12 ARG E Protein A 8 FT #SUB 25 24 TYR F 13 12 ARG E Protein B 6 FT #SUB 26 25 GLY F 13 12 ARG E Protein B 1 FT #SUB 29 28 TRP F 10 9 SER E Protein B 2 FT #SUB 29 28 TRP F 11 10 CYS E Protein A 8 FT #SUB 29 28 TRP F 13 12 ARG E Protein S 9 FT #SUB 30 29 ALA F 8 7 GLU E Protein S 3 FT #SUB 30 29 ALA F 9 8 THR E Protein A 3 FT #SUB 31 30 ARG F 7 6 ARG E Protein B 1 FT #SUB 31 30 ARG F 8 7 GLU E Protein B 4 FT #SUB 31 30 ARG F 9 8 THR E Protein A 8 FT #SUB 31 30 ARG F 10 9 SER E Protein S 1 FT #SUB 32 31 ASP F 7 6 ARG E Protein A 3 FT #SUB 32 31 ASP F 8 7 GLU E Protein S 6 FT #SUB 33 32 ASN F 7 6 ARG E Protein A 10 FT #SUB 42 41 TYR F 14 13 PRO E Protein S 4 FT #SUB 43 42 ARG F 8 7 GLU E Protein S 7 FT #SUB 64 63 ASN F 74 73 ASN E Protein S 4 FT #SUB 67 66 THR F 70 69 MSE E Protein S 1 FT #SUB 67 66 THR F 71 70 VAL E Protein S 1 FT #SUB 70 69 MSE F 67 66 THR E Protein S 2 FT #SUB 70 69 MSE F 70 69 MSE E Protein S 1 FT #SUB 71 70 VAL F 67 66 THR E Protein S 1 FT #SUB 71 70 VAL F 71 70 VAL E Protein S 2 FT #SUB 74 73 ASN F 64 63 ASN E Protein S 4 FT #SUB 74 73 ASN F 90 89 ARG E Protein S 4 FT #SUB 85 84 ILE F 92 91 PRO E Protein B 1 FT #SUB 86 85 LYS F 91 90 THR E Protein B 1 FT #SUB 86 85 LYS F 92 91 PRO E Protein B 1 FT #SUB 87 86 HIS F 89 88 ILE E Protein S 1 FT #SUB 87 86 HIS F 90 89 ARG E Protein B 2 FT #SUB 87 86 HIS F 91 90 THR E Protein S 2 FT #SUB 88 87 PHE F 88 87 PHE E Protein A 5 FT #SUB 88 87 PHE F 89 88 ILE E Protein B 3 FT #SUB 88 87 PHE F 90 89 ARG E Protein A 7 FT #SUB 89 88 ILE F 16 15 LEU E Protein S 1 FT #SUB 89 88 ILE F 87 86 HIS E Protein S 1 FT #SUB 89 88 ILE F 88 87 PHE E Protein A 3 FT #SUB 90 89 ARG F 74 73 ASN E Protein S 4 FT #SUB 90 89 ARG F 87 86 HIS E Protein B 3 FT #SUB 90 89 ARG F 88 87 PHE E Protein B 3 FT #SUB 91 90 THR F 18 17 SER E Protein S 2 FT #SUB 91 90 THR F 87 86 HIS E Protein S 1 FT #SUB 92 91 PRO F 85 84 ILE E Protein S 1 FT #SUB 92 91 PRO F 86 85 LYS E Protein S 1 FT #SUB 96 95 TRP F 15 14 ARG E Protein S 2 FT #SUB 138 137 CYS F 147 146 VAL E Protein A 3 FT #SUB 138 137 CYS F 148 147 PHE E Protein B 3 FT #SUB 138 137 CYS F 151 150 ALA E Protein A 3 FT #SUB 139 138 ASN F 148 147 PHE E Protein B 1 FT #SUB 140 139 CYS F 143 142 ASN E Protein B 3 FT #SUB 140 139 CYS F 148 147 PHE E Protein B 4 FT #SUB 141 140 PRO F 72 71 ARG E Protein S 1 FT #SUB 141 140 PRO F 141 140 PRO E Protein B 1 FT #SUB 141 140 PRO F 142 141 PHE E Protein B 3 FT #SUB 141 140 PRO F 143 142 ASN E Protein B 8 FT #SUB 141 140 PRO F 148 147 PHE E Protein A 4 FT #SUB 142 141 PHE F 141 140 PRO E Protein B 2 FT #SUB 143 142 ASN F 140 139 CYS E Protein S 3 FT #SUB 143 142 ASN F 141 140 PRO E Protein A 7 FT #SUB 143 142 ASN F 223 222 ILE E Protein S 1 FT #SUB 147 146 VAL F 138 137 CYS E Protein A 3 FT #SUB 148 147 PHE F 138 137 CYS E Protein A 3 FT #SUB 148 147 PHE F 139 138 ASN E Protein S 2 FT #SUB 148 147 PHE F 140 139 CYS E Protein S 5 FT #SUB 148 147 PHE F 141 140 PRO E Protein S 5 FT #SUB 223 222 ILE F 143 142 ASN E Protein S 1 FT #HET 6 5 GLN F 28 302 0JN E S 2 FT #HET 8 7 GLU F 28 302 0JN E S 1 FT #HET 32 31 ASP F 36 302 0JN F S 3 FT #HET 38 37 GLY F 38 304 ACT F B 3 FT #HET 40 39 THR F 38 304 ACT F A 6 FT #HET 41 40 ILE F 36 302 0JN F S 1 FT #HET 54 53 PHE F 36 302 0JN F S 19 FT #HET 57 56 HIS F 38 304 ACT F A 5 FT #HET 58 57 GLY F 38 304 ACT F B 2 FT #HET 59 58 LYS F 38 304 ACT F A 6 FT #HET 62 61 VAL F 38 304 ACT F S 3 FT #HET 77 76 THR F 37 303 NA F A 5 FT #HET 80 79 MSE F 37 303 NA F B 2 FT #HET 81 80 PRO F 37 303 NA F B 1 FT #HET 82 81 LEU F 37 303 NA F B 1 FT #HET 83 82 PRO F 36 302 0JN F S 1 FT #HET 100 99 THR F 36 302 0JN F B 1 FT #HET 101 100 ALA F 36 302 0JN F B 3 FT #HET 102 101 ILE F 36 302 0JN F A 8 FT #HET 104 103 GLY F 36 302 0JN F B 1 FT #HET 166 165 ASP F 35 301 KAN F A 10 FT #HET 167 166 PHE F 35 301 KAN F B 3 FT #HET 168 167 ASP F 35 301 KAN F A 11 FT #HET 199 198 ASP F 35 301 KAN F S 4 FT #HET 206 205 ILE F 36 302 0JN F S 1 FT #HET 216 215 ILE F 36 302 0JN F S 6 FT #HET 217 216 ASP F 36 302 0JN F S 1 FT #HET 235 234 ASN F 35 301 KAN F A 3 FT #HET 236 235 CYS F 35 301 KAN F A 3 FT #HET 239 238 GLU F 35 301 KAN F S 6 FT #HET 269 268 ASP F 35 301 KAN F A 8 FT #HET 270 269 GLU F 35 301 KAN F S 5 FT #HET 272 271 PHE F 35 301 KAN F B 11 FT DISORDER 1 3 FT DISORDER 17 20 FT DISORDER 34 37 CC SEQUENCE 261 AA (ATOM); CC HIQRETSCSR PRLDADLYGY RWARDNGATI YRLYGKPNAP ELFLKHGKGS VANDVTDEMV CC RLNWLTAFMP LPTIKHFIRT PDDAWLLTTA IPGKTAFQVL EEYPDSGENI VDALAVFLRR CC LHSIPVCNCP FNSDRVFRLA QAQSRMNNGL VDASDFDDER NGWPVEQVWK EMHKLLPFSP CC DSVVTHGDFS LDNLIFDEGK LIGCIDVGRV GIADRYQDLA ILWNCLGEFS PSLQKRLFQK CC YGIDNPDMNK LQFHLMLDEF F CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM ---HIQRETSCSRPRL----DADLYGYRWARDN----GATIYRLYGKPNA CC ************* ************* ************* CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIG STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 28 27 ARG G 255 254 ASP C Protein S 5 FT #SUB 34 33 VAL G 131 130 ARG E Protein B 3 FT #SUB 34 33 VAL G 211 210 LYS E Protein S 5 FT #SUB 35 34 GLY G 131 130 ARG E Protein B 5 FT #SUB 108 107 PHE G 247 246 ARG E Protein S 1 FT #SUB 108 107 PHE G 250 249 GLN E Protein S 1 FT #SUB 108 107 PHE G 251 250 LYS E Protein S 5 FT #SUB 112 111 GLU G 247 246 ARG E Protein S 4 FT #SUB 112 111 GLU G 250 249 GLN E Protein S 8 FT #SUB 163 162 ASP G 134 133 SER E Protein S 2 FT #SUB 165 164 SER G 130 129 ARG E Protein B 1 FT #SUB 165 164 SER G 133 132 HIS E Protein S 3 FT #SUB 165 164 SER G 134 133 SER E Protein S 3 FT #SUB 165 164 SER G 226 225 ARG E Protein B 3 FT #SUB 166 165 ASP G 130 129 ARG E Protein A 6 FT #SUB 172 171 ASN G 192 191 ASP E Protein S 5 FT #SUB 172 171 ASN G 226 225 ARG E Protein S 3 FT #SUB 203 202 ASP G 251 250 LYS E Protein S 1 FT #SUB 238 237 GLY G 255 254 ASP E Protein B 11 FT #SUB 239 238 GLU G 250 249 GLN E Protein A 7 FT #SUB 239 238 GLU G 253 252 GLY E Protein S 2 FT #SUB 239 238 GLU G 255 254 ASP E Protein A 7 FT #SUB 240 239 PHE G 250 249 GLN E Protein S 2 FT #SUB 1 0 GLY G 165 164 SER H Protein B 1 FT #SUB 1 0 GLY G 166 165 ASP H Protein B 4 FT #SUB 4 3 HIS G 108 107 PHE H Protein S 19 FT #SUB 4 3 HIS G 203 202 ASP H Protein A 7 FT #SUB 4 3 HIS G 239 238 GLU H Protein S 6 FT #SUB 5 4 ILE G 33 32 ASN H Protein A 4 FT #SUB 5 4 ILE G 34 33 VAL H Protein B 3 FT #SUB 5 4 ILE G 35 34 GLY H Protein S 1 FT #SUB 6 5 GLN G 33 32 ASN H Protein B 3 FT #SUB 6 5 GLN G 109 108 GLN H Protein S 4 FT #SUB 7 6 ARG G 31 30 ARG H Protein B 1 FT #SUB 7 6 ARG G 32 31 ASP H Protein B 2 FT #SUB 7 6 ARG G 33 32 ASN H Protein B 8 FT #SUB 8 7 GLU G 30 29 ALA H Protein S 4 FT #SUB 8 7 GLU G 31 30 ARG H Protein A 4 FT #SUB 8 7 GLU G 32 31 ASP H Protein A 7 FT #SUB 8 7 GLU G 43 42 ARG H Protein S 10 FT #SUB 9 8 THR G 30 29 ALA H Protein B 3 FT #SUB 9 8 THR G 31 30 ARG H Protein A 8 FT #SUB 11 10 CYS G 29 28 TRP H Protein B 3 FT #SUB 11 10 CYS G 30 29 ALA H Protein S 3 FT #SUB 11 10 CYS G 31 30 ARG H Protein S 1 FT #SUB 11 10 CYS G 42 41 TYR H Protein S 2 FT #SUB 13 12 ARG G 21 20 ASP H Protein S 4 FT #SUB 13 12 ARG G 24 23 LEU H Protein S 1 FT #SUB 13 12 ARG G 29 28 TRP H Protein S 4 FT #SUB 14 13 PRO G 29 28 TRP H Protein S 4 FT #SUB 14 13 PRO G 42 41 TYR H Protein S 4 FT #SUB 15 14 ARG G 96 95 TRP H Protein B 2 FT #SUB 17 16 ASN G 89 88 ILE H Protein S 2 FT #SUB 17 16 ASN G 91 90 THR H Protein S 4 FT #SUB 17 16 ASN G 96 95 TRP H Protein S 3 FT #SUB 19 18 ASN G 18 17 SER H Protein S 8 FT #SUB 19 18 ASN G 89 88 ILE H Protein S 1 FT #SUB 64 63 ASN G 74 73 ASN H Protein S 4 FT #SUB 67 66 THR G 70 69 MSE H Protein S 2 FT #SUB 70 69 MSE G 67 66 THR H Protein S 1 FT #SUB 70 69 MSE G 70 69 MSE H Protein S 1 FT #SUB 71 70 VAL G 67 66 THR H Protein S 1 FT #SUB 71 70 VAL G 71 70 VAL H Protein S 1 FT #SUB 72 71 ARG G 141 140 PRO H Protein S 2 FT #SUB 74 73 ASN G 64 63 ASN H Protein S 3 FT #SUB 74 73 ASN G 90 89 ARG H Protein S 5 FT #SUB 85 84 ILE G 92 91 PRO H Protein B 1 FT #SUB 86 85 LYS G 92 91 PRO H Protein B 1 FT #SUB 87 86 HIS G 89 88 ILE H Protein S 1 FT #SUB 87 86 HIS G 90 89 ARG H Protein B 2 FT #SUB 87 86 HIS G 91 90 THR H Protein S 2 FT #SUB 88 87 PHE G 70 69 MSE H Protein S 1 FT #SUB 88 87 PHE G 88 87 PHE H Protein A 5 FT #SUB 88 87 PHE G 89 88 ILE H Protein B 3 FT #SUB 88 87 PHE G 90 89 ARG H Protein B 5 FT #SUB 89 88 ILE G 87 86 HIS H Protein S 1 FT #SUB 89 88 ILE G 88 87 PHE H Protein A 3 FT #SUB 90 89 ARG G 74 73 ASN H Protein S 5 FT #SUB 90 89 ARG G 87 86 HIS H Protein B 2 FT #SUB 90 89 ARG G 88 87 PHE H Protein B 7 FT #SUB 91 90 THR G 86 85 LYS H Protein B 1 FT #SUB 91 90 THR G 87 86 HIS H Protein S 2 FT #SUB 92 91 PRO G 85 84 ILE H Protein S 1 FT #SUB 92 91 PRO G 86 85 LYS H Protein S 1 FT #SUB 138 137 CYS G 147 146 VAL H Protein A 3 FT #SUB 138 137 CYS G 148 147 PHE H Protein B 5 FT #SUB 138 137 CYS G 151 150 ALA H Protein A 3 FT #SUB 139 138 ASN G 148 147 PHE H Protein B 1 FT #SUB 140 139 CYS G 143 142 ASN H Protein B 3 FT #SUB 140 139 CYS G 148 147 PHE H Protein B 3 FT #SUB 141 140 PRO G 72 71 ARG H Protein A 2 FT #SUB 141 140 PRO G 142 141 PHE H Protein B 3 FT #SUB 141 140 PRO G 143 142 ASN H Protein B 8 FT #SUB 141 140 PRO G 148 147 PHE H Protein A 4 FT #SUB 142 141 PHE G 141 140 PRO H Protein A 4 FT #SUB 143 142 ASN G 140 139 CYS H Protein S 3 FT #SUB 143 142 ASN G 141 140 PRO H Protein A 8 FT #SUB 143 142 ASN G 143 142 ASN H Protein B 1 FT #SUB 143 142 ASN G 223 222 ILE H Protein S 1 FT #SUB 147 146 VAL G 138 137 CYS H Protein A 3 FT #SUB 148 147 PHE G 138 137 CYS H Protein A 3 FT #SUB 148 147 PHE G 139 138 ASN H Protein S 1 FT #SUB 148 147 PHE G 140 139 CYS H Protein S 3 FT #SUB 148 147 PHE G 141 140 PRO H Protein S 4 FT #SUB 151 150 ALA G 138 137 CYS H Protein S 3 FT #SUB 223 222 ILE G 143 142 ASN H Protein S 1 FT #HET 3 2 SER G 45 301 KAN H S 3 FT #HET 4 3 HIS G 45 301 KAN H S 3 FT #HET 6 5 GLN G 46 302 0JN H S 8 FT #HET 32 31 ASP G 40 302 0JN G S 6 FT #HET 43 42 ARG G 40 302 0JN G S 2 FT #HET 54 53 PHE G 40 302 0JN G S 21 FT #HET 77 76 THR G 41 303 NA G A 5 FT #HET 80 79 MSE G 41 303 NA G B 2 FT #HET 81 80 PRO G 41 303 NA G B 1 FT #HET 83 82 PRO G 40 302 0JN G S 1 FT #HET 100 99 THR G 40 302 0JN G B 1 FT #HET 101 100 ALA G 40 302 0JN G B 3 FT #HET 102 101 ILE G 40 302 0JN G A 9 FT #HET 110 109 VAL G 44 306 ACT G S 1 FT #HET 114 113 TYR G 44 306 ACT G S 5 FT #HET 117 116 SER G 44 306 ACT G S 2 FT #HET 121 120 ILE G 44 306 ACT G S 2 FT #HET 166 165 ASP G 39 301 KAN G A 10 FT #HET 167 166 PHE G 39 301 KAN G B 3 FT #HET 168 167 ASP G 39 301 KAN G A 12 FT #HET 199 198 ASP G 39 301 KAN G S 4 FT #HET 210 209 GLY G 44 306 ACT G B 2 FT #HET 216 215 ILE G 40 302 0JN G S 8 FT #HET 234 233 TRP G 43 305 ACT G S 2 FT #HET 235 234 ASN G 39 301 KAN G A 6 FT #HET 235 234 ASN G 42 304 NA G S 2 FT #HET 236 235 CYS G 39 301 KAN G B 2 FT #HET 239 238 GLU G 39 301 KAN G S 9 FT #HET 259 258 MSE G 43 305 ACT G B 1 FT #HET 262 261 LEU G 43 305 ACT G S 1 FT #HET 263 262 GLN G 43 305 ACT G A 5 FT #HET 266 265 LEU G 43 305 ACT G S 3 FT #HET 269 268 ASP G 39 301 KAN G A 7 FT #HET 270 269 GLU G 39 301 KAN G S 5 FT #HET 272 271 PHE G 39 301 KAN G B 11 CC SEQUENCE 272 AA (ATOM); CC GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG CC SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN CC IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW CC KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF CC SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ************************************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIH STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 21 20 ASP H 188 187 PRO D Protein S 1 FT #SUB 25 24 TYR H 188 187 PRO D Protein S 1 FT #SUB 25 24 TYR H 189 188 PHE D Protein S 5 FT #SUB 25 24 TYR H 190 189 SER D Protein S 5 FT #SUB 25 24 TYR H 191 190 PRO D Protein S 1 FT #SUB 48 47 PRO H 256 255 ASN D Protein S 3 FT #SUB 18 17 SER H 19 18 ASN G Protein A 8 FT #SUB 21 20 ASP H 13 12 ARG G Protein A 4 FT #SUB 24 23 LEU H 13 12 ARG G Protein S 1 FT #SUB 29 28 TRP H 11 10 CYS G Protein A 3 FT #SUB 29 28 TRP H 13 12 ARG G Protein S 4 FT #SUB 29 28 TRP H 14 13 PRO G Protein S 4 FT #SUB 30 29 ALA H 8 7 GLU G Protein S 4 FT #SUB 30 29 ALA H 9 8 THR G Protein A 3 FT #SUB 30 29 ALA H 11 10 CYS G Protein B 3 FT #SUB 31 30 ARG H 7 6 ARG G Protein B 1 FT #SUB 31 30 ARG H 8 7 GLU G Protein B 4 FT #SUB 31 30 ARG H 9 8 THR G Protein A 8 FT #SUB 31 30 ARG H 11 10 CYS G Protein B 1 FT #SUB 32 31 ASP H 7 6 ARG G Protein B 2 FT #SUB 32 31 ASP H 8 7 GLU G Protein S 7 FT #SUB 33 32 ASN H 5 4 ILE G Protein A 4 FT #SUB 33 32 ASN H 6 5 GLN G Protein B 3 FT #SUB 33 32 ASN H 7 6 ARG G Protein A 8 FT #SUB 34 33 VAL H 5 4 ILE G Protein B 3 FT #SUB 35 34 GLY H 5 4 ILE G Protein B 1 FT #SUB 42 41 TYR H 11 10 CYS G Protein S 2 FT #SUB 42 41 TYR H 14 13 PRO G Protein S 4 FT #SUB 43 42 ARG H 8 7 GLU G Protein S 10 FT #SUB 64 63 ASN H 74 73 ASN G Protein S 3 FT #SUB 67 66 THR H 70 69 MSE G Protein S 1 FT #SUB 67 66 THR H 71 70 VAL G Protein S 1 FT #SUB 70 69 MSE H 67 66 THR G Protein S 2 FT #SUB 70 69 MSE H 70 69 MSE G Protein S 1 FT #SUB 70 69 MSE H 88 87 PHE G Protein S 1 FT #SUB 71 70 VAL H 71 70 VAL G Protein S 1 FT #SUB 72 71 ARG H 141 140 PRO G Protein S 2 FT #SUB 74 73 ASN H 64 63 ASN G Protein S 4 FT #SUB 74 73 ASN H 90 89 ARG G Protein S 5 FT #SUB 85 84 ILE H 92 91 PRO G Protein B 1 FT #SUB 86 85 LYS H 91 90 THR G Protein B 1 FT #SUB 86 85 LYS H 92 91 PRO G Protein B 1 FT #SUB 87 86 HIS H 89 88 ILE G Protein S 1 FT #SUB 87 86 HIS H 90 89 ARG G Protein B 2 FT #SUB 87 86 HIS H 91 90 THR G Protein S 2 FT #SUB 88 87 PHE H 88 87 PHE G Protein A 5 FT #SUB 88 87 PHE H 89 88 ILE G Protein B 3 FT #SUB 88 87 PHE H 90 89 ARG G Protein B 7 FT #SUB 89 88 ILE H 17 16 ASN G Protein S 2 FT #SUB 89 88 ILE H 19 18 ASN G Protein S 1 FT #SUB 89 88 ILE H 87 86 HIS G Protein S 1 FT #SUB 89 88 ILE H 88 87 PHE G Protein A 3 FT #SUB 90 89 ARG H 74 73 ASN G Protein S 5 FT #SUB 90 89 ARG H 87 86 HIS G Protein B 2 FT #SUB 90 89 ARG H 88 87 PHE G Protein B 5 FT #SUB 91 90 THR H 17 16 ASN G Protein S 4 FT #SUB 91 90 THR H 87 86 HIS G Protein S 2 FT #SUB 92 91 PRO H 85 84 ILE G Protein S 1 FT #SUB 92 91 PRO H 86 85 LYS G Protein S 1 FT #SUB 96 95 TRP H 15 14 ARG G Protein S 2 FT #SUB 96 95 TRP H 17 16 ASN G Protein S 3 FT #SUB 108 107 PHE H 4 3 HIS G Protein S 19 FT #SUB 109 108 GLN H 6 5 GLN G Protein S 4 FT #SUB 138 137 CYS H 147 146 VAL G Protein A 3 FT #SUB 138 137 CYS H 148 147 PHE G Protein B 3 FT #SUB 138 137 CYS H 151 150 ALA G Protein A 3 FT #SUB 139 138 ASN H 148 147 PHE G Protein B 1 FT #SUB 140 139 CYS H 143 142 ASN G Protein B 3 FT #SUB 140 139 CYS H 148 147 PHE G Protein B 3 FT #SUB 141 140 PRO H 72 71 ARG G Protein A 2 FT #SUB 141 140 PRO H 142 141 PHE G Protein B 4 FT #SUB 141 140 PRO H 143 142 ASN G Protein B 8 FT #SUB 141 140 PRO H 148 147 PHE G Protein A 4 FT #SUB 142 141 PHE H 141 140 PRO G Protein A 3 FT #SUB 143 142 ASN H 140 139 CYS G Protein S 3 FT #SUB 143 142 ASN H 141 140 PRO G Protein A 8 FT #SUB 143 142 ASN H 143 142 ASN G Protein B 1 FT #SUB 143 142 ASN H 223 222 ILE G Protein S 1 FT #SUB 147 146 VAL H 138 137 CYS G Protein A 3 FT #SUB 148 147 PHE H 138 137 CYS G Protein A 5 FT #SUB 148 147 PHE H 139 138 ASN G Protein S 1 FT #SUB 148 147 PHE H 140 139 CYS G Protein S 3 FT #SUB 148 147 PHE H 141 140 PRO G Protein S 4 FT #SUB 151 150 ALA H 138 137 CYS G Protein S 3 FT #SUB 165 164 SER H 1 0 GLY G Protein B 1 FT #SUB 166 165 ASP H 1 0 GLY G Protein S 4 FT #SUB 203 202 ASP H 4 3 HIS G Protein S 7 FT #SUB 223 222 ILE H 143 142 ASN G Protein S 1 FT #SUB 239 238 GLU H 4 3 HIS G Protein S 6 FT #HET 32 31 ASP H 46 302 0JN H S 5 FT #HET 41 40 ILE H 46 302 0JN H S 1 FT #HET 43 42 ARG H 46 302 0JN H S 1 FT #HET 54 53 PHE H 46 302 0JN H S 18 FT #HET 77 76 THR H 47 303 NA H A 5 FT #HET 77 76 THR H 48 304 ACT H B 3 FT #HET 78 77 ALA H 48 304 ACT H B 2 FT #HET 79 78 PHE H 48 304 ACT H B 1 FT #HET 80 79 MSE H 47 303 NA H B 2 FT #HET 80 79 MSE H 48 304 ACT H B 7 FT #HET 81 80 PRO H 48 304 ACT H A 4 FT #HET 83 82 PRO H 46 302 0JN H S 1 FT #HET 101 100 ALA H 46 302 0JN H B 3 FT #HET 102 101 ILE H 46 302 0JN H B 6 FT #HET 104 103 GLY H 46 302 0JN H B 1 FT #HET 110 109 VAL H 50 306 ACT H S 1 FT #HET 114 113 TYR H 50 306 ACT H S 2 FT #HET 117 116 SER H 50 306 ACT H S 3 FT #HET 166 165 ASP H 45 301 KAN H A 9 FT #HET 167 166 PHE H 45 301 KAN H B 3 FT #HET 168 167 ASP H 45 301 KAN H A 10 FT #HET 199 198 ASP H 45 301 KAN H S 4 FT #HET 206 205 ILE H 46 302 0JN H S 1 FT #HET 210 209 GLY H 50 306 ACT H B 1 FT #HET 216 215 ILE H 46 302 0JN H S 9 FT #HET 234 233 TRP H 49 305 ACT H S 2 FT #HET 235 234 ASN H 45 301 KAN H A 3 FT #HET 236 235 CYS H 45 301 KAN H A 4 FT #HET 239 238 GLU H 45 301 KAN H S 6 FT #HET 259 258 MSE H 49 305 ACT H A 4 FT #HET 262 261 LEU H 49 305 ACT H S 1 FT #HET 263 262 GLN H 49 305 ACT H A 6 FT #HET 266 265 LEU H 49 305 ACT H S 1 FT #HET 269 268 ASP H 45 301 KAN H A 7 FT #HET 270 269 GLU H 45 301 KAN H S 5 FT #HET 272 271 PHE H 45 301 KAN H B 11 FT DISORDER 1 17 CC SEQUENCE 255 AA (ATOM); CC SNLDADLYGY RWARDNVGQS GATIYRLYGK PNAPELFLKH GKGSVANDVT DEMVRLNWLT CC AFMPLPTIKH FIRTPDDAWL LTTAIPGKTA FQVLEEYPDS GENIVDALAV FLRRLHSIPV CC CNCPFNSDRV FRLAQAQSRM NNGLVDASDF DDERNGWPVE QVWKEMHKLL PFSPDSVVTH CC GDFSLDNLIF DEGKLIGCID VGRVGIADRY QDLAILWNCL GEFSPSLQKR LFQKYGIDNP CC DMNKLQFHLM LDEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM -----------------SNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ********************************* CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKII STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 188 187 PRO I 13 12 ARG A Protein S 1 FT #SUB 188 187 PRO I 25 24 TYR B Protein A 7 FT #SUB 188 187 PRO I 26 25 GLY B Protein B 3 FT #SUB 189 188 PHE I 25 24 TYR B Protein B 3 FT #SUB 189 188 PHE I 26 25 GLY B Protein B 1 FT #SUB 258 257 ASP I 48 47 PRO B Protein S 1 FT #SUB 260 259 ASN I 28 27 ARG B Protein A 3 FT #SUB 19 18 ASN I 19 18 ASN J Protein B 2 FT #SUB 20 19 LEU I 16 15 LEU J Protein S 1 FT #SUB 21 20 ASP I 13 12 ARG J Protein A 4 FT #SUB 21 20 ASP I 16 15 LEU J Protein S 1 FT #SUB 21 20 ASP I 19 18 ASN J Protein S 1 FT #SUB 24 23 LEU I 16 15 LEU J Protein S 1 FT #SUB 29 28 TRP I 11 10 CYS J Protein A 4 FT #SUB 29 28 TRP I 13 12 ARG J Protein S 1 FT #SUB 29 28 TRP I 14 13 PRO J Protein S 4 FT #SUB 30 29 ALA I 8 7 GLU J Protein S 4 FT #SUB 30 29 ALA I 9 8 THR J Protein A 3 FT #SUB 30 29 ALA I 11 10 CYS J Protein B 1 FT #SUB 31 30 ARG I 7 6 ARG J Protein B 1 FT #SUB 31 30 ARG I 8 7 GLU J Protein B 4 FT #SUB 31 30 ARG I 9 8 THR J Protein A 8 FT #SUB 31 30 ARG I 11 10 CYS J Protein B 1 FT #SUB 32 31 ASP I 7 6 ARG J Protein B 2 FT #SUB 32 31 ASP I 8 7 GLU J Protein S 7 FT #SUB 33 32 ASN I 5 4 ILE J Protein A 4 FT #SUB 33 32 ASN I 6 5 GLN J Protein B 3 FT #SUB 33 32 ASN I 7 6 ARG J Protein A 5 FT #SUB 34 33 VAL I 5 4 ILE J Protein A 4 FT #SUB 42 41 TYR I 11 10 CYS J Protein S 2 FT #SUB 42 41 TYR I 14 13 PRO J Protein S 5 FT #SUB 43 42 ARG I 8 7 GLU J Protein S 9 FT #SUB 64 63 ASN I 74 73 ASN J Protein S 4 FT #SUB 67 66 THR I 70 69 MSE J Protein S 2 FT #SUB 67 66 THR I 71 70 VAL J Protein S 1 FT #SUB 70 69 MSE I 67 66 THR J Protein S 2 FT #SUB 70 69 MSE I 70 69 MSE J Protein S 1 FT #SUB 70 69 MSE I 88 87 PHE J Protein S 1 FT #SUB 71 70 VAL I 67 66 THR J Protein S 1 FT #SUB 71 70 VAL I 71 70 VAL J Protein S 2 FT #SUB 72 71 ARG I 141 140 PRO J Protein S 2 FT #SUB 74 73 ASN I 64 63 ASN J Protein S 4 FT #SUB 74 73 ASN I 90 89 ARG J Protein S 1 FT #SUB 85 84 ILE I 92 91 PRO J Protein B 1 FT #SUB 86 85 LYS I 92 91 PRO J Protein B 1 FT #SUB 87 86 HIS I 89 88 ILE J Protein S 1 FT #SUB 87 86 HIS I 90 89 ARG J Protein A 3 FT #SUB 87 86 HIS I 91 90 THR J Protein S 3 FT #SUB 88 87 PHE I 88 87 PHE J Protein A 4 FT #SUB 88 87 PHE I 89 88 ILE J Protein B 2 FT #SUB 88 87 PHE I 90 89 ARG J Protein B 7 FT #SUB 89 88 ILE I 17 16 ASN J Protein S 1 FT #SUB 89 88 ILE I 87 86 HIS J Protein S 1 FT #SUB 89 88 ILE I 88 87 PHE J Protein A 3 FT #SUB 89 88 ILE I 89 88 ILE J Protein S 1 FT #SUB 90 89 ARG I 74 73 ASN J Protein S 5 FT #SUB 90 89 ARG I 87 86 HIS J Protein B 2 FT #SUB 90 89 ARG I 88 87 PHE J Protein B 4 FT #SUB 91 90 THR I 17 16 ASN J Protein S 4 FT #SUB 91 90 THR I 87 86 HIS J Protein S 2 FT #SUB 92 91 PRO I 85 84 ILE J Protein S 2 FT #SUB 92 91 PRO I 86 85 LYS J Protein S 1 FT #SUB 96 95 TRP I 15 14 ARG J Protein S 2 FT #SUB 96 95 TRP I 16 15 LEU J Protein S 1 FT #SUB 96 95 TRP I 17 16 ASN J Protein S 1 FT #SUB 108 107 PHE I 4 3 HIS J Protein S 22 FT #SUB 109 108 GLN I 6 5 GLN J Protein S 4 FT #SUB 138 137 CYS I 147 146 VAL J Protein A 3 FT #SUB 138 137 CYS I 148 147 PHE J Protein B 7 FT #SUB 138 137 CYS I 151 150 ALA J Protein S 2 FT #SUB 139 138 ASN I 148 147 PHE J Protein B 2 FT #SUB 140 139 CYS I 143 142 ASN J Protein B 3 FT #SUB 140 139 CYS I 148 147 PHE J Protein B 5 FT #SUB 141 140 PRO I 142 141 PHE J Protein B 2 FT #SUB 141 140 PRO I 143 142 ASN J Protein B 7 FT #SUB 141 140 PRO I 148 147 PHE J Protein A 4 FT #SUB 142 141 PHE I 141 140 PRO J Protein B 2 FT #SUB 143 142 ASN I 140 139 CYS J Protein S 3 FT #SUB 143 142 ASN I 141 140 PRO J Protein A 8 FT #SUB 143 142 ASN I 223 222 ILE J Protein S 1 FT #SUB 147 146 VAL I 138 137 CYS J Protein A 2 FT #SUB 148 147 PHE I 138 137 CYS J Protein A 5 FT #SUB 148 147 PHE I 139 138 ASN J Protein S 1 FT #SUB 148 147 PHE I 140 139 CYS J Protein S 4 FT #SUB 148 147 PHE I 141 140 PRO J Protein S 4 FT #SUB 151 150 ALA I 138 137 CYS J Protein S 3 FT #SUB 165 164 SER I 1 0 GLY J Protein B 2 FT #SUB 166 165 ASP I 1 0 GLY J Protein S 1 FT #SUB 203 202 ASP I 4 3 HIS J Protein S 7 FT #SUB 223 222 ILE I 143 142 ASN J Protein S 1 FT #SUB 239 238 GLU I 4 3 HIS J Protein S 4 FT #HET 32 31 ASP I 52 302 0JN I S 5 FT #HET 36 35 GLN I 51 301 KAN I A 5 FT #HET 41 40 ILE I 52 302 0JN I S 1 FT #HET 43 42 ARG I 52 302 0JN I S 1 FT #HET 54 53 PHE I 52 302 0JN I S 20 FT #HET 83 82 PRO I 52 302 0JN I S 1 FT #HET 100 99 THR I 52 302 0JN I B 1 FT #HET 101 100 ALA I 52 302 0JN I B 3 FT #HET 102 101 ILE I 52 302 0JN I A 8 FT #HET 104 103 GLY I 52 302 0JN I B 1 FT #HET 110 109 VAL I 53 303 ACT I S 1 FT #HET 117 116 SER I 53 303 ACT I S 1 FT #HET 121 120 ILE I 53 303 ACT I S 2 FT #HET 130 129 ARG I 54 304 PEG I A 3 FT #HET 133 132 HIS I 54 304 PEG I B 2 FT #HET 134 133 SER I 54 304 PEG I A 5 FT #HET 166 165 ASP I 51 301 KAN I A 11 FT #HET 167 166 PHE I 51 301 KAN I B 3 FT #HET 168 167 ASP I 51 301 KAN I A 11 FT #HET 199 198 ASP I 51 301 KAN I S 4 FT #HET 206 205 ILE I 52 302 0JN I S 1 FT #HET 210 209 GLY I 53 303 ACT I B 5 FT #HET 216 215 ILE I 52 302 0JN I S 9 FT #HET 217 216 ASP I 52 302 0JN I S 3 FT #HET 220 219 ARG I 51 301 KAN I S 3 FT #HET 226 225 ARG I 54 304 PEG I S 2 FT #HET 235 234 ASN I 51 301 KAN I A 3 FT #HET 236 235 CYS I 51 301 KAN I A 4 FT #HET 252 251 TYR I 54 304 PEG I A 5 FT #HET 254 253 ILE I 54 304 PEG I S 1 FT #HET 269 268 ASP I 51 301 KAN I A 7 FT #HET 270 269 GLU I 51 301 KAN I S 5 FT #HET 272 271 PHE I 51 301 KAN I B 12 FT DISORDER 1 18 CC SEQUENCE 254 AA (ATOM); CC NLDADLYGYR WARDNVGQSG ATIYRLYGKP NAPELFLKHG KGSVANDVTD EMVRLNWLTA CC FMPLPTIKHF IRTPDDAWLL TTAIPGKTAF QVLEEYPDSG ENIVDALAVF LRRLHSIPVC CC NCPFNSDRVF RLAQAQSRMN NGLVDASDFD DERNGWPVEQ VWKEMHKLLP FSPDSVVTHG CC DFSLDNLIFD EGKLIGCIDV GRVGIADRYQ DLAILWNCLG EFSPSLQKRL FQKYGIDNPD CC MNKLQFHLML DEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM ------------------NLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ******************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIJ STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 256 255 ASN J 29 28 TRP A Protein S 1 FT #SUB 1 0 GLY J 165 164 SER I Protein B 2 FT #SUB 1 0 GLY J 166 165 ASP I Protein B 1 FT #SUB 4 3 HIS J 108 107 PHE I Protein S 22 FT #SUB 4 3 HIS J 203 202 ASP I Protein A 7 FT #SUB 4 3 HIS J 239 238 GLU I Protein S 4 FT #SUB 5 4 ILE J 33 32 ASN I Protein A 4 FT #SUB 5 4 ILE J 34 33 VAL I Protein B 4 FT #SUB 6 5 GLN J 33 32 ASN I Protein B 3 FT #SUB 6 5 GLN J 109 108 GLN I Protein S 4 FT #SUB 7 6 ARG J 31 30 ARG I Protein B 1 FT #SUB 7 6 ARG J 32 31 ASP I Protein B 2 FT #SUB 7 6 ARG J 33 32 ASN I Protein B 5 FT #SUB 8 7 GLU J 30 29 ALA I Protein S 4 FT #SUB 8 7 GLU J 31 30 ARG I Protein A 4 FT #SUB 8 7 GLU J 32 31 ASP I Protein A 7 FT #SUB 8 7 GLU J 43 42 ARG I Protein S 9 FT #SUB 9 8 THR J 30 29 ALA I Protein B 3 FT #SUB 9 8 THR J 31 30 ARG I Protein A 8 FT #SUB 11 10 CYS J 29 28 TRP I Protein A 4 FT #SUB 11 10 CYS J 30 29 ALA I Protein S 1 FT #SUB 11 10 CYS J 31 30 ARG I Protein S 1 FT #SUB 11 10 CYS J 42 41 TYR I Protein S 2 FT #SUB 13 12 ARG J 21 20 ASP I Protein S 4 FT #SUB 13 12 ARG J 29 28 TRP I Protein S 1 FT #SUB 14 13 PRO J 29 28 TRP I Protein S 4 FT #SUB 14 13 PRO J 42 41 TYR I Protein S 5 FT #SUB 15 14 ARG J 96 95 TRP I Protein B 2 FT #SUB 16 15 LEU J 20 19 LEU I Protein S 1 FT #SUB 16 15 LEU J 21 20 ASP I Protein S 1 FT #SUB 16 15 LEU J 24 23 LEU I Protein S 1 FT #SUB 16 15 LEU J 96 95 TRP I Protein S 1 FT #SUB 17 16 ASN J 89 88 ILE I Protein S 1 FT #SUB 17 16 ASN J 91 90 THR I Protein S 4 FT #SUB 17 16 ASN J 96 95 TRP I Protein S 1 FT #SUB 19 18 ASN J 19 18 ASN I Protein S 2 FT #SUB 19 18 ASN J 21 20 ASP I Protein S 1 FT #SUB 64 63 ASN J 74 73 ASN I Protein S 4 FT #SUB 67 66 THR J 70 69 MSE I Protein S 2 FT #SUB 67 66 THR J 71 70 VAL I Protein S 1 FT #SUB 70 69 MSE J 67 66 THR I Protein S 2 FT #SUB 70 69 MSE J 70 69 MSE I Protein S 1 FT #SUB 71 70 VAL J 67 66 THR I Protein S 1 FT #SUB 71 70 VAL J 71 70 VAL I Protein S 2 FT #SUB 74 73 ASN J 64 63 ASN I Protein S 4 FT #SUB 74 73 ASN J 90 89 ARG I Protein S 5 FT #SUB 85 84 ILE J 92 91 PRO I Protein B 2 FT #SUB 86 85 LYS J 92 91 PRO I Protein B 1 FT #SUB 87 86 HIS J 89 88 ILE I Protein S 1 FT #SUB 87 86 HIS J 90 89 ARG I Protein B 2 FT #SUB 87 86 HIS J 91 90 THR I Protein S 2 FT #SUB 88 87 PHE J 70 69 MSE I Protein S 1 FT #SUB 88 87 PHE J 88 87 PHE I Protein A 4 FT #SUB 88 87 PHE J 89 88 ILE I Protein B 3 FT #SUB 88 87 PHE J 90 89 ARG I Protein B 4 FT #SUB 89 88 ILE J 87 86 HIS I Protein S 1 FT #SUB 89 88 ILE J 88 87 PHE I Protein B 2 FT #SUB 89 88 ILE J 89 88 ILE I Protein S 1 FT #SUB 90 89 ARG J 74 73 ASN I Protein S 1 FT #SUB 90 89 ARG J 87 86 HIS I Protein B 3 FT #SUB 90 89 ARG J 88 87 PHE I Protein B 7 FT #SUB 91 90 THR J 87 86 HIS I Protein S 3 FT #SUB 92 91 PRO J 85 84 ILE I Protein S 1 FT #SUB 92 91 PRO J 86 85 LYS I Protein S 1 FT #SUB 138 137 CYS J 147 146 VAL I Protein S 2 FT #SUB 138 137 CYS J 148 147 PHE I Protein B 5 FT #SUB 138 137 CYS J 151 150 ALA I Protein A 3 FT #SUB 139 138 ASN J 148 147 PHE I Protein B 1 FT #SUB 140 139 CYS J 143 142 ASN I Protein B 3 FT #SUB 140 139 CYS J 148 147 PHE I Protein B 4 FT #SUB 141 140 PRO J 72 71 ARG I Protein A 2 FT #SUB 141 140 PRO J 142 141 PHE I Protein B 2 FT #SUB 141 140 PRO J 143 142 ASN I Protein B 8 FT #SUB 141 140 PRO J 148 147 PHE I Protein A 4 FT #SUB 142 141 PHE J 141 140 PRO I Protein B 2 FT #SUB 143 142 ASN J 140 139 CYS I Protein S 3 FT #SUB 143 142 ASN J 141 140 PRO I Protein A 7 FT #SUB 143 142 ASN J 223 222 ILE I Protein S 1 FT #SUB 147 146 VAL J 138 137 CYS I Protein A 3 FT #SUB 148 147 PHE J 138 137 CYS I Protein A 7 FT #SUB 148 147 PHE J 139 138 ASN I Protein S 2 FT #SUB 148 147 PHE J 140 139 CYS I Protein S 5 FT #SUB 148 147 PHE J 141 140 PRO I Protein S 4 FT #SUB 151 150 ALA J 138 137 CYS I Protein S 2 FT #SUB 223 222 ILE J 143 142 ASN I Protein S 1 FT #HET 3 2 SER J 51 301 KAN I S 4 FT #HET 4 3 HIS J 51 301 KAN I S 3 FT #HET 6 5 GLN J 52 302 0JN I S 10 FT #HET 32 31 ASP J 56 302 0JN J S 5 FT #HET 38 37 GLY J 61 307 PEG J B 1 FT #HET 39 38 ALA J 61 307 PEG J B 1 FT #HET 40 39 THR J 61 307 PEG J A 5 FT #HET 41 40 ILE J 56 302 0JN J S 1 FT #HET 43 42 ARG J 56 302 0JN J S 1 FT #HET 54 53 PHE J 56 302 0JN J S 18 FT #HET 56 55 LYS J 56 302 0JN J S 1 FT #HET 57 56 HIS J 61 307 PEG J A 8 FT #HET 58 57 GLY J 61 307 PEG J B 2 FT #HET 59 58 LYS J 61 307 PEG J A 16 FT #HET 62 61 VAL J 61 307 PEG J S 5 FT #HET 77 76 THR J 57 303 NA J A 5 FT #HET 77 76 THR J 60 306 ACT J B 1 FT #HET 79 78 PHE J 60 306 ACT J B 1 FT #HET 80 79 MSE J 57 303 NA J B 2 FT #HET 80 79 MSE J 60 306 ACT J B 8 FT #HET 81 80 PRO J 57 303 NA J B 1 FT #HET 81 80 PRO J 60 306 ACT J A 7 FT #HET 82 81 LEU J 57 303 NA J B 1 FT #HET 83 82 PRO J 56 302 0JN J S 1 FT #HET 100 99 THR J 56 302 0JN J B 1 FT #HET 101 100 ALA J 56 302 0JN J B 3 FT #HET 102 101 ILE J 56 302 0JN J A 8 FT #HET 104 103 GLY J 56 302 0JN J B 3 FT #HET 105 104 LYS J 56 302 0JN J B 1 FT #HET 106 105 THR J 56 302 0JN J S 1 FT #HET 110 109 VAL J 59 305 ACT J S 1 FT #HET 114 113 TYR J 59 305 ACT J S 4 FT #HET 117 116 SER J 59 305 ACT J S 3 FT #HET 130 129 ARG J 62 308 PEG J A 3 FT #HET 133 132 HIS J 62 308 PEG J B 2 FT #HET 134 133 SER J 62 308 PEG J A 5 FT #HET 159 158 ASN J 63 309 PEG J A 18 FT #HET 161 160 LEU J 63 309 PEG J S 1 FT #HET 166 165 ASP J 55 301 KAN J A 12 FT #HET 167 166 PHE J 55 301 KAN J B 4 FT #HET 168 167 ASP J 55 301 KAN J A 10 FT #HET 199 198 ASP J 55 301 KAN J S 4 FT #HET 206 205 ILE J 56 302 0JN J S 2 FT #HET 210 209 GLY J 59 305 ACT J B 1 FT #HET 216 215 ILE J 56 302 0JN J S 7 FT #HET 220 219 ARG J 55 301 KAN J S 2 FT #HET 226 225 ARG J 62 308 PEG J S 1 FT #HET 235 234 ASN J 55 301 KAN J A 4 FT #HET 235 234 ASN J 58 304 NA J S 2 FT #HET 236 235 CYS J 55 301 KAN J A 4 FT #HET 239 238 GLU J 55 301 KAN J S 10 FT #HET 252 251 TYR J 62 308 PEG J A 4 FT #HET 253 252 GLY J 62 308 PEG J B 3 FT #HET 269 268 ASP J 55 301 KAN J A 8 FT #HET 270 269 GLU J 55 301 KAN J S 5 FT #HET 272 271 PHE J 55 301 KAN J B 11 CC SEQUENCE 272 AA (ATOM); CC GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG CC SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN CC IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW CC KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF CC SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ************************************************** CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIK STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 112 111 GLU K 154 153 GLN D Protein B 6 FT #SUB 112 111 GLU K 177 176 GLU D Protein S 3 FT #SUB 113 112 GLU K 154 153 GLN D Protein B 8 FT #SUB 4 3 HIS K 108 107 PHE L Protein S 17 FT #SUB 4 3 HIS K 203 202 ASP L Protein S 7 FT #SUB 4 3 HIS K 239 238 GLU L Protein S 2 FT #SUB 6 5 GLN K 109 108 GLN L Protein S 3 FT #SUB 7 6 ARG K 31 30 ARG L Protein B 1 FT #SUB 7 6 ARG K 32 31 ASP L Protein B 2 FT #SUB 7 6 ARG K 33 32 ASN L Protein A 3 FT #SUB 8 7 GLU K 30 29 ALA L Protein S 3 FT #SUB 8 7 GLU K 31 30 ARG L Protein B 2 FT #SUB 8 7 GLU K 32 31 ASP L Protein S 5 FT #SUB 8 7 GLU K 43 42 ARG L Protein S 8 FT #SUB 9 8 THR K 30 29 ALA L Protein B 2 FT #SUB 9 8 THR K 31 30 ARG L Protein A 10 FT #SUB 11 10 CYS K 29 28 TRP L Protein B 3 FT #SUB 11 10 CYS K 30 29 ALA L Protein S 1 FT #SUB 11 10 CYS K 31 30 ARG L Protein S 1 FT #SUB 11 10 CYS K 42 41 TYR L Protein S 2 FT #SUB 13 12 ARG K 21 20 ASP L Protein S 3 FT #SUB 13 12 ARG K 24 23 LEU L Protein S 1 FT #SUB 13 12 ARG K 29 28 TRP L Protein S 6 FT #SUB 14 13 PRO K 29 28 TRP L Protein S 3 FT #SUB 14 13 PRO K 42 41 TYR L Protein S 5 FT #SUB 14 13 PRO K 96 95 TRP L Protein S 3 FT #SUB 15 14 ARG K 96 95 TRP L Protein B 2 FT #SUB 16 15 LEU K 20 19 LEU L Protein S 1 FT #SUB 17 16 ASN K 91 90 THR L Protein S 8 FT #SUB 19 18 ASN K 19 18 ASN L Protein S 10 FT #SUB 19 18 ASN K 21 20 ASP L Protein S 1 FT #SUB 20 19 LEU K 16 15 LEU L Protein S 1 FT #SUB 21 20 ASP K 13 12 ARG L Protein A 3 FT #SUB 24 23 LEU K 13 12 ARG L Protein A 4 FT #SUB 24 23 LEU K 16 15 LEU L Protein S 1 FT #SUB 25 24 TYR K 13 12 ARG L Protein A 5 FT #SUB 29 28 TRP K 10 9 SER L Protein B 1 FT #SUB 29 28 TRP K 11 10 CYS L Protein A 4 FT #SUB 29 28 TRP K 13 12 ARG L Protein S 12 FT #SUB 29 28 TRP K 14 13 PRO L Protein S 5 FT #SUB 30 29 ALA K 8 7 GLU L Protein S 3 FT #SUB 30 29 ALA K 9 8 THR L Protein A 3 FT #SUB 30 29 ALA K 11 10 CYS L Protein B 3 FT #SUB 31 30 ARG K 8 7 GLU L Protein B 2 FT #SUB 31 30 ARG K 9 8 THR L Protein A 12 FT #SUB 31 30 ARG K 11 10 CYS L Protein A 2 FT #SUB 32 31 ASP K 8 7 GLU L Protein S 7 FT #SUB 33 32 ASN K 8 7 GLU L Protein S 1 FT #SUB 42 41 TYR K 14 13 PRO L Protein S 2 FT #SUB 43 42 ARG K 8 7 GLU L Protein S 10 FT #SUB 45 44 TYR K 10 9 SER L Protein S 1 FT #SUB 64 63 ASN K 74 73 ASN L Protein S 4 FT #SUB 67 66 THR K 70 69 MSE L Protein S 1 FT #SUB 67 66 THR K 71 70 VAL L Protein S 1 FT #SUB 70 69 MSE K 67 66 THR L Protein S 2 FT #SUB 70 69 MSE K 70 69 MSE L Protein S 1 FT #SUB 70 69 MSE K 88 87 PHE L Protein S 1 FT #SUB 71 70 VAL K 67 66 THR L Protein S 1 FT #SUB 71 70 VAL K 71 70 VAL L Protein S 2 FT #SUB 74 73 ASN K 64 63 ASN L Protein S 4 FT #SUB 74 73 ASN K 90 89 ARG L Protein S 4 FT #SUB 85 84 ILE K 92 91 PRO L Protein B 1 FT #SUB 86 85 LYS K 91 90 THR L Protein B 1 FT #SUB 86 85 LYS K 92 91 PRO L Protein A 3 FT #SUB 87 86 HIS K 89 88 ILE L Protein S 1 FT #SUB 87 86 HIS K 90 89 ARG L Protein B 2 FT #SUB 87 86 HIS K 91 90 THR L Protein S 2 FT #SUB 88 87 PHE K 70 69 MSE L Protein S 1 FT #SUB 88 87 PHE K 88 87 PHE L Protein A 5 FT #SUB 88 87 PHE K 89 88 ILE L Protein B 3 FT #SUB 88 87 PHE K 90 89 ARG L Protein A 8 FT #SUB 89 88 ILE K 87 86 HIS L Protein S 1 FT #SUB 89 88 ILE K 88 87 PHE L Protein A 3 FT #SUB 90 89 ARG K 74 73 ASN L Protein S 5 FT #SUB 90 89 ARG K 87 86 HIS L Protein B 2 FT #SUB 90 89 ARG K 88 87 PHE L Protein B 6 FT #SUB 91 90 THR K 17 16 ASN L Protein S 4 FT #SUB 91 90 THR K 87 86 HIS L Protein S 2 FT #SUB 92 91 PRO K 85 84 ILE L Protein S 1 FT #SUB 92 91 PRO K 86 85 LYS L Protein S 1 FT #SUB 94 93 ASP K 17 16 ASN L Protein S 5 FT #SUB 96 95 TRP K 15 14 ARG L Protein S 1 FT #SUB 96 95 TRP K 16 15 LEU L Protein S 1 FT #SUB 96 95 TRP K 17 16 ASN L Protein S 9 FT #SUB 138 137 CYS K 147 146 VAL L Protein A 3 FT #SUB 138 137 CYS K 148 147 PHE L Protein B 4 FT #SUB 138 137 CYS K 151 150 ALA L Protein A 3 FT #SUB 140 139 CYS K 143 142 ASN L Protein B 3 FT #SUB 140 139 CYS K 148 147 PHE L Protein B 3 FT #SUB 141 140 PRO K 72 71 ARG L Protein S 1 FT #SUB 141 140 PRO K 142 141 PHE L Protein B 2 FT #SUB 141 140 PRO K 143 142 ASN L Protein B 8 FT #SUB 141 140 PRO K 148 147 PHE L Protein A 4 FT #SUB 142 141 PHE K 141 140 PRO L Protein A 3 FT #SUB 143 142 ASN K 140 139 CYS L Protein S 3 FT #SUB 143 142 ASN K 141 140 PRO L Protein A 7 FT #SUB 143 142 ASN K 223 222 ILE L Protein S 1 FT #SUB 147 146 VAL K 138 137 CYS L Protein A 2 FT #SUB 148 147 PHE K 138 137 CYS L Protein A 2 FT #SUB 148 147 PHE K 139 138 ASN L Protein S 1 FT #SUB 148 147 PHE K 140 139 CYS L Protein S 4 FT #SUB 148 147 PHE K 141 140 PRO L Protein S 4 FT #SUB 223 222 ILE K 143 142 ASN L Protein S 1 FT #HET 3 2 SER K 68 301 KAN L S 1 FT #HET 4 3 HIS K 68 301 KAN L S 3 FT #HET 6 5 GLN K 69 302 0JN L S 3 FT #HET 32 31 ASP K 65 302 0JN K S 1 FT #HET 36 35 GLN K 64 301 KAN K A 11 FT #HET 38 37 GLY K 67 304 ACT K B 2 FT #HET 39 38 ALA K 67 304 ACT K B 3 FT #HET 40 39 THR K 67 304 ACT K A 4 FT #HET 41 40 ILE K 65 302 0JN K S 1 FT #HET 43 42 ARG K 65 302 0JN K S 1 FT #HET 54 53 PHE K 65 302 0JN K S 22 FT #HET 57 56 HIS K 67 304 ACT K A 4 FT #HET 58 57 GLY K 67 304 ACT K B 3 FT #HET 59 58 LYS K 67 304 ACT K A 7 FT #HET 62 61 VAL K 67 304 ACT K S 4 FT #HET 77 76 THR K 66 303 NA K A 5 FT #HET 80 79 MSE K 66 303 NA K B 2 FT #HET 100 99 THR K 65 302 0JN K B 1 FT #HET 101 100 ALA K 65 302 0JN K B 3 FT #HET 102 101 ILE K 65 302 0JN K B 4 FT #HET 104 103 GLY K 65 302 0JN K B 2 FT #HET 106 105 THR K 65 302 0JN K S 1 FT #HET 166 165 ASP K 64 301 KAN K A 10 FT #HET 167 166 PHE K 64 301 KAN K B 2 FT #HET 168 167 ASP K 64 301 KAN K A 10 FT #HET 199 198 ASP K 64 301 KAN K S 4 FT #HET 206 205 ILE K 65 302 0JN K S 1 FT #HET 216 215 ILE K 65 302 0JN K S 5 FT #HET 217 216 ASP K 65 302 0JN K S 1 FT #HET 235 234 ASN K 64 301 KAN K A 3 FT #HET 236 235 CYS K 64 301 KAN K B 2 FT #HET 239 238 GLU K 64 301 KAN K S 4 FT #HET 269 268 ASP K 64 301 KAN K A 7 FT #HET 270 269 GLU K 64 301 KAN K S 5 FT #HET 272 271 PHE K 64 301 KAN K B 11 FT DISORDER 1 1 CC SEQUENCE 271 AA (ATOM); CC MSHIQRETSC SRPRLNSNLD ADLYGYRWAR DNVGQSGATI YRLYGKPNAP ELFLKHGKGS CC VANDVTDEMV RLNWLTAFMP LPTIKHFIRT PDDAWLLTTA IPGKTAFQVL EEYPDSGENI CC VDALAVFLRR LHSIPVCNCP FNSDRVFRLA QAQSRMNNGL VDASDFDDER NGWPVEQVWK CC EMHKLLPFSP DSVVTHGDFS LDNLIFDEGK LIGCIDVGRV GIADRYQDLA ILWNCLGEFS CC PSLQKRLFQK YGIDNPDMNK LQFHLMLDEF F CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM -MSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ************************************************* CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF // ID 4GKIL STANDARD; PRT; 272 AA. DT CONVERTED FROM PDB (SEQRES) 4GKI DE Aminoglycoside 3'-phosphotransferase AphA1-IAB OS Acinetobacter baumannii CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.880 CC R-Factor 0.168 FT #SUB 59 58 LYS L 113 112 GLU A Protein S 1 FT #SUB 60 59 GLY L 113 112 GLU A Protein B 3 FT #SUB 60 59 GLY L 114 113 TYR A Protein B 7 FT #SUB 61 60 SER L 113 112 GLU A Protein A 2 FT #SUB 61 60 SER L 114 113 TYR A Protein A 7 FT #SUB 61 60 SER L 115 114 PRO A Protein S 4 FT #SUB 61 60 SER L 116 115 ASP A Protein S 9 FT #SUB 92 91 PRO L 114 113 TYR A Protein B 1 FT #SUB 93 92 ASP L 113 112 GLU A Protein S 3 FT #SUB 93 92 ASP L 114 113 TYR A Protein A 6 FT #SUB 158 157 ASN L 119 118 GLU A Protein S 2 FT #SUB 158 157 ASN L 241 240 SER A Protein B 3 FT #SUB 158 157 ASN L 243 242 SER A Protein A 10 FT #SUB 158 157 ASN L 244 243 LEU A Protein B 3 FT #SUB 159 158 ASN L 115 114 PRO A Protein S 4 FT #SUB 159 158 ASN L 116 115 ASP A Protein S 3 FT #SUB 159 158 ASN L 118 117 GLY A Protein S 4 FT #SUB 159 158 ASN L 119 118 GLU A Protein S 2 FT #SUB 160 159 GLY L 240 239 PHE A Protein B 1 FT #SUB 160 159 GLY L 241 240 SER A Protein B 2 FT #SUB 161 160 LEU L 115 114 PRO A Protein S 2 FT #SUB 161 160 LEU L 116 115 ASP A Protein S 1 FT #SUB 8 7 GLU L 30 29 ALA K Protein S 3 FT #SUB 8 7 GLU L 31 30 ARG K Protein B 2 FT #SUB 8 7 GLU L 32 31 ASP K Protein A 7 FT #SUB 8 7 GLU L 33 32 ASN K Protein B 1 FT #SUB 8 7 GLU L 43 42 ARG K Protein S 10 FT #SUB 9 8 THR L 30 29 ALA K Protein B 3 FT #SUB 9 8 THR L 31 30 ARG K Protein A 12 FT #SUB 10 9 SER L 29 28 TRP K Protein B 1 FT #SUB 10 9 SER L 45 44 TYR K Protein S 1 FT #SUB 11 10 CYS L 29 28 TRP K Protein B 4 FT #SUB 11 10 CYS L 30 29 ALA K Protein S 3 FT #SUB 11 10 CYS L 31 30 ARG K Protein S 2 FT #SUB 13 12 ARG L 21 20 ASP K Protein S 3 FT #SUB 13 12 ARG L 24 23 LEU K Protein S 4 FT #SUB 13 12 ARG L 25 24 TYR K Protein S 5 FT #SUB 13 12 ARG L 29 28 TRP K Protein A 12 FT #SUB 14 13 PRO L 29 28 TRP K Protein S 5 FT #SUB 14 13 PRO L 42 41 TYR K Protein S 2 FT #SUB 15 14 ARG L 96 95 TRP K Protein B 1 FT #SUB 16 15 LEU L 20 19 LEU K Protein S 1 FT #SUB 16 15 LEU L 24 23 LEU K Protein S 1 FT #SUB 16 15 LEU L 96 95 TRP K Protein S 1 FT #SUB 17 16 ASN L 91 90 THR K Protein S 4 FT #SUB 17 16 ASN L 94 93 ASP K Protein S 5 FT #SUB 17 16 ASN L 96 95 TRP K Protein A 9 FT #SUB 19 18 ASN L 19 18 ASN K Protein S 10 FT #SUB 20 19 LEU L 16 15 LEU K Protein S 1 FT #SUB 21 20 ASP L 13 12 ARG K Protein A 3 FT #SUB 21 20 ASP L 19 18 ASN K Protein S 1 FT #SUB 24 23 LEU L 13 12 ARG K Protein S 1 FT #SUB 29 28 TRP L 11 10 CYS K Protein A 3 FT #SUB 29 28 TRP L 13 12 ARG K Protein S 6 FT #SUB 29 28 TRP L 14 13 PRO K Protein S 3 FT #SUB 30 29 ALA L 8 7 GLU K Protein S 3 FT #SUB 30 29 ALA L 9 8 THR K Protein B 2 FT #SUB 30 29 ALA L 11 10 CYS K Protein B 1 FT #SUB 31 30 ARG L 7 6 ARG K Protein B 1 FT #SUB 31 30 ARG L 8 7 GLU K Protein B 2 FT #SUB 31 30 ARG L 9 8 THR K Protein A 10 FT #SUB 31 30 ARG L 11 10 CYS K Protein B 1 FT #SUB 32 31 ASP L 7 6 ARG K Protein B 2 FT #SUB 32 31 ASP L 8 7 GLU K Protein S 5 FT #SUB 33 32 ASN L 7 6 ARG K Protein A 3 FT #SUB 42 41 TYR L 11 10 CYS K Protein S 2 FT #SUB 42 41 TYR L 14 13 PRO K Protein S 5 FT #SUB 43 42 ARG L 8 7 GLU K Protein S 8 FT #SUB 64 63 ASN L 74 73 ASN K Protein S 4 FT #SUB 67 66 THR L 70 69 MSE K Protein S 2 FT #SUB 67 66 THR L 71 70 VAL K Protein S 1 FT #SUB 70 69 MSE L 67 66 THR K Protein S 1 FT #SUB 70 69 MSE L 70 69 MSE K Protein S 1 FT #SUB 70 69 MSE L 88 87 PHE K Protein S 1 FT #SUB 71 70 VAL L 67 66 THR K Protein S 1 FT #SUB 71 70 VAL L 71 70 VAL K Protein S 2 FT #SUB 72 71 ARG L 141 140 PRO K Protein S 1 FT #SUB 74 73 ASN L 64 63 ASN K Protein S 4 FT #SUB 74 73 ASN L 90 89 ARG K Protein S 5 FT #SUB 85 84 ILE L 92 91 PRO K Protein B 1 FT #SUB 86 85 LYS L 92 91 PRO K Protein B 1 FT #SUB 87 86 HIS L 89 88 ILE K Protein S 1 FT #SUB 87 86 HIS L 90 89 ARG K Protein B 2 FT #SUB 87 86 HIS L 91 90 THR K Protein S 2 FT #SUB 88 87 PHE L 70 69 MSE K Protein S 1 FT #SUB 88 87 PHE L 88 87 PHE K Protein A 5 FT #SUB 88 87 PHE L 89 88 ILE K Protein B 3 FT #SUB 88 87 PHE L 90 89 ARG K Protein B 6 FT #SUB 89 88 ILE L 87 86 HIS K Protein S 1 FT #SUB 89 88 ILE L 88 87 PHE K Protein A 3 FT #SUB 90 89 ARG L 74 73 ASN K Protein S 4 FT #SUB 90 89 ARG L 87 86 HIS K Protein B 2 FT #SUB 90 89 ARG L 88 87 PHE K Protein A 8 FT #SUB 91 90 THR L 17 16 ASN K Protein S 8 FT #SUB 91 90 THR L 86 85 LYS K Protein B 1 FT #SUB 91 90 THR L 87 86 HIS K Protein S 2 FT #SUB 92 91 PRO L 85 84 ILE K Protein S 1 FT #SUB 92 91 PRO L 86 85 LYS K Protein S 3 FT #SUB 96 95 TRP L 14 13 PRO K Protein S 3 FT #SUB 96 95 TRP L 15 14 ARG K Protein S 2 FT #SUB 108 107 PHE L 4 3 HIS K Protein S 17 FT #SUB 109 108 GLN L 6 5 GLN K Protein S 3 FT #SUB 138 137 CYS L 147 146 VAL K Protein S 2 FT #SUB 138 137 CYS L 148 147 PHE K Protein B 2 FT #SUB 139 138 ASN L 148 147 PHE K Protein B 1 FT #SUB 140 139 CYS L 143 142 ASN K Protein B 3 FT #SUB 140 139 CYS L 148 147 PHE K Protein B 4 FT #SUB 141 140 PRO L 142 141 PHE K Protein B 3 FT #SUB 141 140 PRO L 143 142 ASN K Protein B 7 FT #SUB 141 140 PRO L 148 147 PHE K Protein A 4 FT #SUB 142 141 PHE L 141 140 PRO K Protein B 2 FT #SUB 143 142 ASN L 140 139 CYS K Protein S 3 FT #SUB 143 142 ASN L 141 140 PRO K Protein A 8 FT #SUB 143 142 ASN L 223 222 ILE K Protein S 1 FT #SUB 147 146 VAL L 138 137 CYS K Protein A 3 FT #SUB 148 147 PHE L 138 137 CYS K Protein A 4 FT #SUB 148 147 PHE L 140 139 CYS K Protein S 3 FT #SUB 148 147 PHE L 141 140 PRO K Protein S 4 FT #SUB 151 150 ALA L 138 137 CYS K Protein S 3 FT #SUB 203 202 ASP L 4 3 HIS K Protein S 7 FT #SUB 223 222 ILE L 143 142 ASN K Protein S 1 FT #SUB 239 238 GLU L 4 3 HIS K Protein S 2 FT #HET 32 31 ASP L 69 302 0JN L S 4 FT #HET 36 35 GLN L 68 301 KAN L A 6 FT #HET 41 40 ILE L 69 302 0JN L S 1 FT #HET 54 53 PHE L 69 302 0JN L S 18 FT #HET 77 76 THR L 70 303 NA L A 5 FT #HET 77 76 THR L 71 304 ACT L B 3 FT #HET 78 77 ALA L 71 304 ACT L B 2 FT #HET 79 78 PHE L 71 304 ACT L B 2 FT #HET 80 79 MSE L 70 303 NA L B 2 FT #HET 80 79 MSE L 71 304 ACT L B 9 FT #HET 81 80 PRO L 70 303 NA L B 1 FT #HET 81 80 PRO L 71 304 ACT L A 3 FT #HET 82 81 LEU L 73 306 ACT L B 2 FT #HET 83 82 PRO L 69 302 0JN L S 1 FT #HET 100 99 THR L 69 302 0JN L B 1 FT #HET 101 100 ALA L 69 302 0JN L B 3 FT #HET 102 101 ILE L 69 302 0JN L A 6 FT #HET 104 103 GLY L 69 302 0JN L B 1 FT #HET 166 165 ASP L 68 301 KAN L A 10 FT #HET 167 166 PHE L 68 301 KAN L B 3 FT #HET 168 167 ASP L 68 301 KAN L A 11 FT #HET 199 198 ASP L 68 301 KAN L S 4 FT #HET 206 205 ILE L 69 302 0JN L S 1 FT #HET 213 212 ILE L 73 306 ACT L B 1 FT #HET 216 215 ILE L 69 302 0JN L S 9 FT #HET 217 216 ASP L 69 302 0JN L S 3 FT #HET 220 219 ARG L 68 301 KAN L S 3 FT #HET 234 233 TRP L 72 305 ACT L S 2 FT #HET 235 234 ASN L 68 301 KAN L A 3 FT #HET 236 235 CYS L 68 301 KAN L A 4 FT #HET 239 238 GLU L 68 301 KAN L S 6 FT #HET 259 258 MSE L 72 305 ACT L A 2 FT #HET 262 261 LEU L 72 305 ACT L S 1 FT #HET 263 262 GLN L 72 305 ACT L A 3 FT #HET 269 268 ASP L 68 301 KAN L A 7 FT #HET 270 269 GLU L 68 301 KAN L S 5 FT #HET 272 271 PHE L 68 301 KAN L B 11 FT DISORDER 1 7 CC SEQUENCE 265 AA (ATOM); CC ETSCSRPRLN SNLDADLYGY RWARDNVGQS GATIYRLYGK PNAPELFLKH GKGSVANDVT CC DEMVRLNWLT AFMPLPTIKH FIRTPDDAWL LTTAIPGKTA FQVLEEYPDS GENIVDALAV CC FLRRLHSIPV CNCPFNSDRV FRLAQAQSRM NNGLVDASDF DDERNGWPVE QVWKEMHKLL CC PFSPDSVVTH GDFSLDNLIF DEGKLIGCID VGRVGIADRY QDLAILWNCL GEFSPSLQKR CC LFQKYGIDNP DMNKLQFHLM LDEFF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GMSHIQRETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ATOM -------ETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNA CC ******************************************* CC SEQRES PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ATOM PELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTT CC ************************************************** CC SEQRES AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ATOM AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRL CC ************************************************** CC SEQRES AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ATOM AQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDF CC ************************************************** CC SEQRES SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ATOM SLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQ CC ************************************************** CC SEQRES KYGIDNPDMNKLQFHLMLDEFF CC ATOM KYGIDNPDMNKLQFHLMLDEFF CC ********************** SQ SEQUENCE 272 AA; MW; CN; GMSHIQRETS CSRPRLNSNL DADLYGYRWA RDNVGQSGAT IYRLYGKPNA PELFLKHGKG SVANDVTDEM VRLNWLTAFM PLPTIKHFIR TPDDAWLLTT AIPGKTAFQV LEEYPDSGEN IVDALAVFLR RLHSIPVCNC PFNSDRVFRL AQAQSRMNNG LVDASDFDDE RNGWPVEQVW KEMHKLLPFS PDSVVTHGDF SLDNLIFDEG KLIGCIDVGR VGIADRYQDL AILWNCLGEF SPSLQKRLFQ KYGIDNPDMN KLQFHLMLDE FF //