ID 3SLBA STANDARD; PRT; 268 AA. DT CONVERTED FROM PDB (SEQRES) 3SLB DE Aminoglycoside N3-acetyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.177 FT #SUB 1 -2 SER A 208 205 GLY D Protein A 3 FT #SUB 1 -2 SER A 209 206 GLU D Protein S 1 FT #SUB 2 -1 ASN A 205 202 ILE D Protein S 1 FT #SUB 2 -1 ASN A 208 205 GLY D Protein A 7 FT #SUB 5 2 ASN A 207 204 ASN D Protein S 4 FT #SUB 5 2 ASN A 208 205 GLY D Protein S 10 FT #SUB 5 2 ASN A 209 206 GLU D Protein S 6 FT #SUB 84 81 SER A 144 141 GLU C Protein B 2 FT #SUB 84 81 SER A 148 145 VAL C Protein S 1 FT #SUB 91 88 GLU A 208 205 GLY C Protein S 3 FT #SUB 223 220 ASP A 141 138 ARG C Protein S 1 FT #SUB 4 1 MSE A 86 83 PRO B Protein S 1 FT #SUB 5 2 ASN A 86 83 PRO B Protein S 3 FT #SUB 8 5 VAL A 86 83 PRO B Protein S 1 FT #SUB 8 5 VAL A 92 89 TRP B Protein A 4 FT #SUB 11 8 THR A 92 89 TRP B Protein A 7 FT #SUB 12 9 GLN A 92 89 TRP B Protein B 4 FT #SUB 13 10 LEU A 91 88 GLU B Protein S 2 FT #SUB 13 10 LEU A 92 89 TRP B Protein B 1 FT #SUB 14 11 PRO A 92 89 TRP B Protein S 8 FT #SUB 16 13 THR A 99 96 ASN B Protein S 6 FT #SUB 46 43 TRP A 83 80 TRP B Protein S 4 FT #SUB 46 43 TRP A 92 89 TRP B Protein S 5 FT #SUB 46 43 TRP A 96 93 ILE B Protein S 4 FT #SUB 48 45 SER A 96 93 ILE B Protein S 1 FT #SUB 48 45 SER A 100 97 VAL B Protein S 4 FT #SUB 48 45 SER A 101 98 PRO B Protein B 1 FT #SUB 49 46 GLY A 101 98 PRO B Protein B 1 FT #SUB 52 49 VAL A 109 106 PRO B Protein S 1 FT #SUB 83 80 TRP A 46 43 TRP B Protein S 4 FT #SUB 86 83 PRO A 4 1 MSE B Protein S 2 FT #SUB 88 85 VAL A 8 5 VAL B Protein S 1 FT #SUB 89 86 PRO A 8 5 VAL B Protein S 1 FT #SUB 92 89 TRP A 8 5 VAL B Protein S 3 FT #SUB 92 89 TRP A 11 8 THR B Protein S 2 FT #SUB 92 89 TRP A 12 9 GLN B Protein S 4 FT #SUB 92 89 TRP A 13 10 LEU B Protein S 1 FT #SUB 92 89 TRP A 14 11 PRO B Protein S 7 FT #SUB 92 89 TRP A 46 43 TRP B Protein S 5 FT #SUB 95 92 ILE A 14 11 PRO B Protein S 2 FT #SUB 96 93 ILE A 46 43 TRP B Protein S 4 FT #SUB 96 93 ILE A 48 45 SER B Protein A 2 FT #SUB 99 96 ASN A 16 13 THR B Protein S 3 FT #SUB 100 97 VAL A 48 45 SER B Protein A 4 FT #SUB 101 98 PRO A 17 14 ILE B Protein S 1 FT #SUB 101 98 PRO A 48 45 SER B Protein S 1 FT #SUB 101 98 PRO A 49 46 GLY B Protein S 1 FT #SUB 107 104 ILE A 52 49 VAL B Protein S 1 FT #SUB 107 104 ILE A 123 120 TYR B Protein S 8 FT #SUB 109 106 PRO A 52 49 VAL B Protein S 1 FT #SUB 109 106 PRO A 115 112 LYS B Protein S 2 FT #SUB 122 119 THR A 122 119 THR B Protein S 1 FT #SUB 123 120 TYR A 107 104 ILE B Protein S 5 FT #SUB 124 121 PRO A 107 104 ILE B Protein S 1 FT #HET 4 1 MSE A 1 266 ACO A S 8 FT #HET 7 4 ILE A 1 266 ACO A S 2 FT #HET 38 35 HIS A 1 266 ACO A A 6 FT #HET 39 36 SER A 1 266 ACO A B 7 FT #HET 40 37 SER A 1 266 ACO A A 9 FT #HET 41 38 LEU A 1 266 ACO A A 18 FT #HET 42 39 SER A 1 266 ACO A A 9 FT #HET 45 42 GLY A 1 266 ACO A B 3 FT #HET 46 43 TRP A 1 266 ACO A A 4 FT #HET 47 44 ILE A 1 266 ACO A A 10 FT #HET 50 47 GLY A 1 266 ACO A B 2 FT #HET 71 68 PRO A 1 266 ACO A S 1 FT #HET 73 70 GLN A 1 266 ACO A S 1 FT #HET 75 72 SER A 2 267 CYT A A 2 FT #HET 76 73 ASP A 2 267 CYT A S 1 FT #HET 83 80 TRP A 2 267 CYT A A 28 FT #HET 84 81 SER A 2 267 CYT A A 5 FT #HET 85 82 ARG A 2 267 CYT A A 15 FT #HET 86 83 PRO A 2 267 CYT A A 7 FT #HET 111 108 ARG A 2 267 CYT A S 5 FT #HET 112 109 ALA A 1 266 ACO A B 2 FT #HET 113 110 MSE A 1 266 ACO A A 6 FT #HET 114 111 GLY A 1 266 ACO A B 4 FT #HET 115 112 LYS A 1 266 ACO A A 6 FT #HET 177 174 VAL A 1 266 ACO A S 2 FT #HET 180 177 ASP A 1 266 ACO A B 3 FT #HET 181 178 SER A 1 266 ACO A A 8 FT #HET 182 179 ASN A 1 266 ACO A B 1 FT #HET 183 180 THR A 1 266 ACO A A 7 FT #HET 225 222 PHE A 1 266 ACO A S 1 FT DISORDER 267 268 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 266 AA (ATOM); CC SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME CC VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF CC RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD CC SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM CC GKIGNAKCRL MKQRDIVDFG TEWFRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ATOM SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ************************************************** CC SEQRES AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ATOM AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ************************************************** CC SEQRES PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ATOM PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ************************************************** CC SEQRES SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ATOM SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ************************************************** CC SEQRES GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ATOM GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ************************************************** CC SEQRES MKQRDIVDFGTEWFRKKN CC ATOM MKQRDIVDFGTEWFRK-- CC **************** SQ SEQUENCE 268 AA; MW; CN; SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM GKIGNAKCRL MKQRDIVDFG TEWFRKKN // ID 3SLBD STANDARD; PRT; 268 AA. DT CONVERTED FROM PDB (SEQRES) 3SLB DE Aminoglycoside N3-acetyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.177 FT #SUB 205 202 ILE D 2 -1 ASN A Protein S 1 FT #SUB 207 204 ASN D 5 2 ASN A Protein B 4 FT #SUB 208 205 GLY D 1 -2 SER A Protein B 3 FT #SUB 208 205 GLY D 2 -1 ASN A Protein B 7 FT #SUB 208 205 GLY D 5 2 ASN A Protein B 10 FT #SUB 209 206 GLU D 1 -2 SER A Protein S 1 FT #SUB 209 206 GLU D 5 2 ASN A Protein A 6 FT #SUB 4 1 MSE D 86 83 PRO C Protein S 2 FT #SUB 8 5 VAL D 86 83 PRO C Protein S 1 FT #SUB 8 5 VAL D 89 86 PRO C Protein S 1 FT #SUB 8 5 VAL D 92 89 TRP C Protein A 3 FT #SUB 11 8 THR D 92 89 TRP C Protein A 4 FT #SUB 12 9 GLN D 92 89 TRP C Protein B 4 FT #SUB 13 10 LEU D 92 89 TRP C Protein A 3 FT #SUB 14 11 PRO D 92 89 TRP C Protein S 8 FT #SUB 14 11 PRO D 95 92 ILE C Protein S 1 FT #SUB 16 13 THR D 95 92 ILE C Protein S 1 FT #SUB 16 13 THR D 99 96 ASN C Protein S 3 FT #SUB 18 15 LYS D 99 96 ASN C Protein S 1 FT #SUB 46 43 TRP D 83 80 TRP C Protein S 2 FT #SUB 46 43 TRP D 92 89 TRP C Protein S 4 FT #SUB 46 43 TRP D 96 93 ILE C Protein S 4 FT #SUB 48 45 SER D 100 97 VAL C Protein S 4 FT #SUB 48 45 SER D 101 98 PRO C Protein B 1 FT #SUB 49 46 GLY D 101 98 PRO C Protein B 2 FT #SUB 52 49 VAL D 101 98 PRO C Protein S 1 FT #SUB 52 49 VAL D 107 104 ILE C Protein S 1 FT #SUB 52 49 VAL D 109 106 PRO C Protein S 1 FT #SUB 83 80 TRP D 46 43 TRP C Protein S 2 FT #SUB 86 83 PRO D 5 2 ASN C Protein S 3 FT #SUB 86 83 PRO D 8 5 VAL C Protein S 1 FT #SUB 89 86 PRO D 8 5 VAL C Protein S 1 FT #SUB 92 89 TRP D 8 5 VAL C Protein S 2 FT #SUB 92 89 TRP D 11 8 THR C Protein S 5 FT #SUB 92 89 TRP D 12 9 GLN C Protein S 4 FT #SUB 92 89 TRP D 13 10 LEU C Protein S 2 FT #SUB 92 89 TRP D 14 11 PRO C Protein S 6 FT #SUB 92 89 TRP D 46 43 TRP C Protein S 4 FT #SUB 95 92 ILE D 14 11 PRO C Protein S 1 FT #SUB 96 93 ILE D 46 43 TRP C Protein S 4 FT #SUB 96 93 ILE D 48 45 SER C Protein A 3 FT #SUB 99 96 ASN D 16 13 THR C Protein S 5 FT #SUB 100 97 VAL D 48 45 SER C Protein A 4 FT #SUB 101 98 PRO D 48 45 SER C Protein S 1 FT #SUB 101 98 PRO D 49 46 GLY C Protein S 1 FT #SUB 106 103 HIS D 122 119 THR C Protein B 1 FT #SUB 107 104 ILE D 52 49 VAL C Protein S 2 FT #SUB 107 104 ILE D 123 120 TYR C Protein S 3 FT #SUB 107 104 ILE D 124 121 PRO C Protein S 1 FT #SUB 109 106 PRO D 52 49 VAL C Protein S 1 FT #SUB 115 112 LYS D 109 106 PRO C Protein S 2 FT #SUB 123 120 TYR D 107 104 ILE C Protein S 5 FT #SUB 124 121 PRO D 106 103 HIS C Protein S 1 FT #SUB 64 61 GLU D 242 239 LYS B Protein S 3 FT #SUB 106 103 HIS D 1 -2 SER B Protein S 3 FT #SUB 124 121 PRO D 9 6 ALA B Protein S 2 FT #SUB 124 121 PRO D 10 7 SER B Protein S 1 FT #SUB 125 122 ASN D 10 7 SER B Protein S 6 FT #SUB 125 122 ASN D 245 242 ASN B Protein S 3 FT #SUB 141 138 ARG D 247 244 LYS B Protein B 4 FT #SUB 149 146 ASN D 226 223 VAL B Protein S 1 FT #SUB 207 204 ASN D 84 81 SER B Protein A 6 FT #HET 2 -1 ASN D 4 266 ACO D A 15 FT #HET 4 1 MSE D 4 266 ACO D S 5 FT #HET 7 4 ILE D 4 266 ACO D S 4 FT #HET 38 35 HIS D 4 266 ACO D A 5 FT #HET 39 36 SER D 4 266 ACO D B 7 FT #HET 40 37 SER D 4 266 ACO D A 10 FT #HET 41 38 LEU D 4 266 ACO D A 13 FT #HET 42 39 SER D 4 266 ACO D A 11 FT #HET 45 42 GLY D 4 266 ACO D B 4 FT #HET 46 43 TRP D 4 266 ACO D A 4 FT #HET 47 44 ILE D 4 266 ACO D A 11 FT #HET 50 47 GLY D 4 266 ACO D B 2 FT #HET 71 68 PRO D 4 266 ACO D S 2 FT #HET 73 70 GLN D 4 266 ACO D S 1 FT #HET 75 72 SER D 5 267 CYT D A 2 FT #HET 76 73 ASP D 5 267 CYT D S 1 FT #HET 83 80 TRP D 5 267 CYT D A 31 FT #HET 84 81 SER D 5 267 CYT D A 6 FT #HET 85 82 ARG D 5 267 CYT D A 14 FT #HET 86 83 PRO D 5 267 CYT D A 5 FT #HET 111 108 ARG D 5 267 CYT D S 7 FT #HET 112 109 ALA D 4 266 ACO D B 1 FT #HET 113 110 MSE D 4 266 ACO D A 4 FT #HET 114 111 GLY D 4 266 ACO D B 4 FT #HET 115 112 LYS D 4 266 ACO D A 5 FT #HET 177 174 VAL D 4 266 ACO D S 3 FT #HET 180 177 ASP D 4 266 ACO D B 1 FT #HET 181 178 SER D 4 266 ACO D A 7 FT #HET 183 180 THR D 4 266 ACO D A 7 FT #HET 214 211 GLU D 7 269 EPE D A 4 FT #HET 215 212 PHE D 7 269 EPE D B 2 FT #HET 216 213 VAL D 7 269 EPE D S 1 FT #HET 222 219 SER D 4 266 ACO D S 1 FT #HET 225 222 PHE D 4 266 ACO D S 1 FT DISORDER 267 268 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 266 AA (ATOM); CC SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME CC VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF CC RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD CC SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM CC GKIGNAKCRL MKQRDIVDFG TEWFRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ATOM SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ************************************************** CC SEQRES AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ATOM AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ************************************************** CC SEQRES PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ATOM PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ************************************************** CC SEQRES SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ATOM SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ************************************************** CC SEQRES GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ATOM GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ************************************************** CC SEQRES MKQRDIVDFGTEWFRKKN CC ATOM MKQRDIVDFGTEWFRK-- CC **************** SQ SEQUENCE 268 AA; MW; CN; SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM GKIGNAKCRL MKQRDIVDFG TEWFRKKN // ID 3SLBC STANDARD; PRT; 268 AA. DT CONVERTED FROM PDB (SEQRES) 3SLB DE Aminoglycoside N3-acetyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.177 FT #SUB 141 138 ARG C 223 220 ASP A Protein S 1 FT #SUB 144 141 GLU C 84 81 SER A Protein S 2 FT #SUB 148 145 VAL C 84 81 SER A Protein S 1 FT #SUB 208 205 GLY C 91 88 GLU A Protein B 3 FT #SUB 5 2 ASN C 86 83 PRO D Protein S 3 FT #SUB 8 5 VAL C 86 83 PRO D Protein S 1 FT #SUB 8 5 VAL C 89 86 PRO D Protein S 1 FT #SUB 8 5 VAL C 92 89 TRP D Protein A 2 FT #SUB 11 8 THR C 92 89 TRP D Protein A 5 FT #SUB 12 9 GLN C 92 89 TRP D Protein B 4 FT #SUB 13 10 LEU C 92 89 TRP D Protein A 2 FT #SUB 14 11 PRO C 92 89 TRP D Protein S 6 FT #SUB 14 11 PRO C 95 92 ILE D Protein S 1 FT #SUB 16 13 THR C 99 96 ASN D Protein S 5 FT #SUB 46 43 TRP C 83 80 TRP D Protein S 2 FT #SUB 46 43 TRP C 92 89 TRP D Protein S 4 FT #SUB 46 43 TRP C 96 93 ILE D Protein S 4 FT #SUB 48 45 SER C 96 93 ILE D Protein S 3 FT #SUB 48 45 SER C 100 97 VAL D Protein S 4 FT #SUB 48 45 SER C 101 98 PRO D Protein B 1 FT #SUB 49 46 GLY C 101 98 PRO D Protein B 1 FT #SUB 52 49 VAL C 107 104 ILE D Protein S 2 FT #SUB 52 49 VAL C 109 106 PRO D Protein S 1 FT #SUB 83 80 TRP C 46 43 TRP D Protein S 2 FT #SUB 86 83 PRO C 4 1 MSE D Protein S 2 FT #SUB 86 83 PRO C 8 5 VAL D Protein S 1 FT #SUB 89 86 PRO C 8 5 VAL D Protein S 1 FT #SUB 92 89 TRP C 8 5 VAL D Protein S 3 FT #SUB 92 89 TRP C 11 8 THR D Protein S 4 FT #SUB 92 89 TRP C 12 9 GLN D Protein S 4 FT #SUB 92 89 TRP C 13 10 LEU D Protein S 3 FT #SUB 92 89 TRP C 14 11 PRO D Protein S 8 FT #SUB 92 89 TRP C 46 43 TRP D Protein S 4 FT #SUB 95 92 ILE C 14 11 PRO D Protein S 1 FT #SUB 95 92 ILE C 16 13 THR D Protein S 1 FT #SUB 96 93 ILE C 46 43 TRP D Protein S 4 FT #SUB 99 96 ASN C 16 13 THR D Protein S 3 FT #SUB 99 96 ASN C 18 15 LYS D Protein S 1 FT #SUB 100 97 VAL C 48 45 SER D Protein A 4 FT #SUB 101 98 PRO C 48 45 SER D Protein S 1 FT #SUB 101 98 PRO C 49 46 GLY D Protein S 2 FT #SUB 101 98 PRO C 52 49 VAL D Protein S 1 FT #SUB 106 103 HIS C 124 121 PRO D Protein S 1 FT #SUB 107 104 ILE C 52 49 VAL D Protein S 1 FT #SUB 107 104 ILE C 123 120 TYR D Protein S 5 FT #SUB 109 106 PRO C 52 49 VAL D Protein S 1 FT #SUB 109 106 PRO C 115 112 LYS D Protein S 2 FT #SUB 122 119 THR C 106 103 HIS D Protein B 1 FT #SUB 123 120 TYR C 107 104 ILE D Protein S 3 FT #SUB 124 121 PRO C 107 104 ILE D Protein S 1 FT #SUB 106 103 HIS C 9 6 ALA B Protein S 5 FT #SUB 125 122 ASN C 3 0 ALA B Protein A 2 FT #SUB 126 123 VAL C 5 2 ASN B Protein B 2 FT #SUB 127 124 VAL C 5 2 ASN B Protein S 1 FT #HET 4 1 MSE C 9 266 ACO C S 5 FT #HET 7 4 ILE C 9 266 ACO C S 3 FT #HET 38 35 HIS C 9 266 ACO C A 6 FT #HET 39 36 SER C 9 266 ACO C B 7 FT #HET 40 37 SER C 9 266 ACO C A 9 FT #HET 41 38 LEU C 9 266 ACO C A 13 FT #HET 42 39 SER C 9 266 ACO C A 9 FT #HET 45 42 GLY C 9 266 ACO C B 2 FT #HET 46 43 TRP C 9 266 ACO C A 3 FT #HET 47 44 ILE C 9 266 ACO C A 10 FT #HET 50 47 GLY C 9 266 ACO C B 2 FT #HET 71 68 PRO C 9 266 ACO C S 2 FT #HET 73 70 GLN C 9 266 ACO C S 1 FT #HET 75 72 SER C 10 267 CYT C A 3 FT #HET 76 73 ASP C 10 267 CYT C S 1 FT #HET 83 80 TRP C 10 267 CYT C A 27 FT #HET 84 81 SER C 10 267 CYT C A 4 FT #HET 85 82 ARG C 10 267 CYT C A 14 FT #HET 86 83 PRO C 10 267 CYT C A 6 FT #HET 111 108 ARG C 10 267 CYT C S 8 FT #HET 112 109 ALA C 9 266 ACO C B 1 FT #HET 113 110 MSE C 9 266 ACO C A 5 FT #HET 114 111 GLY C 9 266 ACO C B 4 FT #HET 115 112 LYS C 9 266 ACO C A 4 FT #HET 177 174 VAL C 9 266 ACO C S 3 FT #HET 180 177 ASP C 9 266 ACO C B 3 FT #HET 181 178 SER C 9 266 ACO C A 7 FT #HET 183 180 THR C 9 266 ACO C A 8 FT #HET 199 196 LYS C 11 268 CPS C S 1 FT #HET 214 211 GLU C 11 268 CPS C A 3 FT #HET 216 213 VAL C 11 268 CPS C S 2 FT #HET 222 219 SER C 9 266 ACO C S 1 FT #HET 225 222 PHE C 9 266 ACO C S 1 FT DISORDER 1 2 FT DISORDER 267 268 CC Miss-SC 1 CC SEQUENCE 264 AA (ATOM); CC AMNDIVASTQ LPNTIKTITN DLRKLGLKKG MTVIVHSSLS SIGWISGGAV AVVEALMEVI CC TEEGTIIMPT QSSDLSDPKH WSRPPVPEEW WQIIRDNVPA FEPHITPTRA MGKVVECFRT CC YPNVVRSNHP LGSFAAWGRH AEEITVNQSL SMSLGEESPL RKIYDLDGYI LLIGVGYDSN CC TSVGLSEVRS GACELIKVGA PIIENGERVW KEFVDMDYDS DKFVEIGVEF EQKGTVTMGK CC IGNAKCRLMK QRDIVDFGTE WFRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ATOM --AMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ************************************************ CC SEQRES AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ATOM AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ************************************************** CC SEQRES PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ATOM PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ************************************************** CC SEQRES SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ATOM SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ************************************************** CC SEQRES GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ATOM GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ************************************************** CC SEQRES MKQRDIVDFGTEWFRKKN CC ATOM MKQRDIVDFGTEWFRK-- CC **************** SQ SEQUENCE 268 AA; MW; CN; SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM GKIGNAKCRL MKQRDIVDFG TEWFRKKN // ID 3SLBB STANDARD; PRT; 268 AA. DT CONVERTED FROM PDB (SEQRES) 3SLB DE Aminoglycoside N3-acetyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.177 FT #SUB 4 1 MSE B 86 83 PRO A Protein S 2 FT #SUB 8 5 VAL B 88 85 VAL A Protein S 1 FT #SUB 8 5 VAL B 89 86 PRO A Protein S 1 FT #SUB 8 5 VAL B 92 89 TRP A Protein A 3 FT #SUB 11 8 THR B 92 89 TRP A Protein A 2 FT #SUB 12 9 GLN B 92 89 TRP A Protein B 4 FT #SUB 13 10 LEU B 92 89 TRP A Protein B 1 FT #SUB 14 11 PRO B 92 89 TRP A Protein S 7 FT #SUB 14 11 PRO B 95 92 ILE A Protein S 2 FT #SUB 16 13 THR B 99 96 ASN A Protein S 3 FT #SUB 17 14 ILE B 101 98 PRO A Protein S 1 FT #SUB 46 43 TRP B 83 80 TRP A Protein S 4 FT #SUB 46 43 TRP B 92 89 TRP A Protein S 5 FT #SUB 46 43 TRP B 96 93 ILE A Protein S 4 FT #SUB 48 45 SER B 96 93 ILE A Protein S 2 FT #SUB 48 45 SER B 100 97 VAL A Protein S 4 FT #SUB 48 45 SER B 101 98 PRO A Protein B 1 FT #SUB 49 46 GLY B 101 98 PRO A Protein B 1 FT #SUB 52 49 VAL B 107 104 ILE A Protein S 1 FT #SUB 52 49 VAL B 109 106 PRO A Protein S 1 FT #SUB 83 80 TRP B 46 43 TRP A Protein S 4 FT #SUB 86 83 PRO B 4 1 MSE A Protein S 1 FT #SUB 86 83 PRO B 5 2 ASN A Protein S 3 FT #SUB 86 83 PRO B 8 5 VAL A Protein S 1 FT #SUB 91 88 GLU B 13 10 LEU A Protein S 2 FT #SUB 92 89 TRP B 8 5 VAL A Protein S 4 FT #SUB 92 89 TRP B 11 8 THR A Protein S 7 FT #SUB 92 89 TRP B 12 9 GLN A Protein S 4 FT #SUB 92 89 TRP B 13 10 LEU A Protein S 1 FT #SUB 92 89 TRP B 14 11 PRO A Protein S 8 FT #SUB 92 89 TRP B 46 43 TRP A Protein S 5 FT #SUB 96 93 ILE B 46 43 TRP A Protein S 4 FT #SUB 96 93 ILE B 48 45 SER A Protein B 1 FT #SUB 99 96 ASN B 16 13 THR A Protein S 6 FT #SUB 100 97 VAL B 48 45 SER A Protein A 4 FT #SUB 101 98 PRO B 48 45 SER A Protein S 1 FT #SUB 101 98 PRO B 49 46 GLY A Protein S 1 FT #SUB 107 104 ILE B 123 120 TYR A Protein S 5 FT #SUB 107 104 ILE B 124 121 PRO A Protein S 1 FT #SUB 109 106 PRO B 52 49 VAL A Protein S 1 FT #SUB 115 112 LYS B 109 106 PRO A Protein S 2 FT #SUB 122 119 THR B 122 119 THR A Protein S 1 FT #SUB 123 120 TYR B 107 104 ILE A Protein S 8 FT #SUB 1 -2 SER B 106 103 HIS D Protein B 3 FT #SUB 9 6 ALA B 124 121 PRO D Protein B 2 FT #SUB 10 7 SER B 124 121 PRO D Protein B 1 FT #SUB 10 7 SER B 125 122 ASN D Protein A 6 FT #SUB 84 81 SER B 207 204 ASN D Protein A 6 FT #SUB 226 223 VAL B 149 146 ASN D Protein S 1 FT #SUB 242 239 LYS B 64 61 GLU D Protein S 3 FT #SUB 245 242 ASN B 125 122 ASN D Protein S 3 FT #SUB 247 244 LYS B 141 138 ARG D Protein S 4 FT #SUB 3 0 ALA B 125 122 ASN C Protein S 2 FT #SUB 5 2 ASN B 126 123 VAL C Protein S 2 FT #SUB 5 2 ASN B 127 124 VAL C Protein S 1 FT #SUB 9 6 ALA B 106 103 HIS C Protein S 5 FT #HET 2 -1 ASN B 12 266 ACO B A 13 FT #HET 4 1 MSE B 12 266 ACO B S 6 FT #HET 7 4 ILE B 12 266 ACO B S 5 FT #HET 38 35 HIS B 12 266 ACO B A 4 FT #HET 39 36 SER B 12 266 ACO B B 6 FT #HET 40 37 SER B 12 266 ACO B A 10 FT #HET 41 38 LEU B 12 266 ACO B A 19 FT #HET 42 39 SER B 12 266 ACO B A 11 FT #HET 45 42 GLY B 12 266 ACO B B 3 FT #HET 46 43 TRP B 12 266 ACO B A 4 FT #HET 47 44 ILE B 12 266 ACO B A 11 FT #HET 50 47 GLY B 12 266 ACO B B 2 FT #HET 56 53 GLU B 3 268 MG A S 2 FT #HET 71 68 PRO B 12 266 ACO B S 2 FT #HET 73 70 GLN B 12 266 ACO B S 3 FT #HET 75 72 SER B 13 267 CYT B B 1 FT #HET 76 73 ASP B 13 267 CYT B S 1 FT #HET 83 80 TRP B 13 267 CYT B A 29 FT #HET 84 81 SER B 13 267 CYT B A 6 FT #HET 85 82 ARG B 13 267 CYT B A 13 FT #HET 86 83 PRO B 13 267 CYT B A 5 FT #HET 111 108 ARG B 13 267 CYT B S 6 FT #HET 112 109 ALA B 12 266 ACO B B 1 FT #HET 113 110 MSE B 12 266 ACO B A 6 FT #HET 114 111 GLY B 12 266 ACO B B 5 FT #HET 115 112 LYS B 12 266 ACO B A 6 FT #HET 177 174 VAL B 12 266 ACO B S 3 FT #HET 180 177 ASP B 12 266 ACO B B 3 FT #HET 181 178 SER B 12 266 ACO B A 7 FT #HET 183 180 THR B 12 266 ACO B A 8 FT DISORDER 267 268 CC SEQUENCE 266 AA (ATOM); CC SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME CC VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF CC RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD CC SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM CC GKIGNAKCRL MKQRDIVDFG TEWFRK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ATOM SNAMNDIVASTQLPNTIKTITNDLRKLGLKKGMTVIVHSSLSSIGWISGG CC ************************************************** CC SEQRES AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ATOM AVAVVEALMEVITEEGTIIMPTQSSDLSDPKHWSRPPVPEEWWQIIRDNV CC ************************************************** CC SEQRES PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ATOM PAFEPHITPTRAMGKVVECFRTYPNVVRSNHPLGSFAAWGRHAEEITVNQ CC ************************************************** CC SEQRES SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ATOM SLSMSLGEESPLRKIYDLDGYILLIGVGYDSNTSVGLSEVRSGACELIKV CC ************************************************** CC SEQRES GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ATOM GAPIIENGERVWKEFVDMDYDSDKFVEIGVEFEQKGTVTMGKIGNAKCRL CC ************************************************** CC SEQRES MKQRDIVDFGTEWFRKKN CC ATOM MKQRDIVDFGTEWFRK-- CC **************** SQ SEQUENCE 268 AA; MW; CN; SNAMNDIVAS TQLPNTIKTI TNDLRKLGLK KGMTVIVHSS LSSIGWISGG AVAVVEALME VITEEGTIIM PTQSSDLSDP KHWSRPPVPE EWWQIIRDNV PAFEPHITPT RAMGKVVECF RTYPNVVRSN HPLGSFAAWG RHAEEITVNQ SLSMSLGEES PLRKIYDLDG YILLIGVGYD SNTSVGLSEV RSGACELIKV GAPIIENGER VWKEFVDMDY DSDKFVEIGV EFEQKGTVTM GKIGNAKCRL MKQRDIVDFG TEWFRKKN //