ID 4IR0A STANDARD; PRT; 148 AA. DT CONVERTED FROM PDB (SEQRES) 4IR0 DE Metallothiol transferase FosB 2 OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.187 FT #SUB 1 0 MSE A 28 27 GLN B Protein B 4 FT #SUB 1 0 MSE A 73 72 THR B Protein S 1 FT #SUB 1 0 MSE A 75 74 GLU B Protein S 7 FT #SUB 1 0 MSE A 76 75 ALA B Protein A 9 FT #SUB 1 0 MSE A 79 78 HIS B Protein B 2 FT #SUB 1 0 MSE A 80 79 LEU B Protein B 1 FT #SUB 2 1 MSE A 28 27 GLN B Protein B 1 FT #SUB 3 2 LEU A 27 26 LEU B Protein S 1 FT #SUB 3 2 LEU A 28 27 GLN B Protein S 1 FT #SUB 3 2 LEU A 44 43 ASN B Protein B 1 FT #SUB 3 2 LEU A 70 69 PHE B Protein S 3 FT #SUB 3 2 LEU A 71 70 THR B Protein B 2 FT #SUB 3 2 LEU A 117 116 PHE B Protein S 3 FT #SUB 4 3 GLN A 44 43 ASN B Protein B 1 FT #SUB 4 3 GLN A 71 70 THR B Protein A 5 FT #SUB 4 3 GLN A 73 72 THR B Protein S 1 FT #SUB 5 4 GLY A 44 43 ASN B Protein B 6 FT #SUB 5 4 GLY A 70 69 PHE B Protein B 3 FT #SUB 5 4 GLY A 71 70 THR B Protein B 4 FT #SUB 6 5 ILE A 69 68 ALA B Protein A 3 FT #SUB 7 6 ASN A 69 68 ALA B Protein A 6 FT #SUB 7 6 ASN A 70 69 PHE B Protein S 2 FT #SUB 7 6 ASN A 71 70 THR B Protein A 7 FT #SUB 7 6 ASN A 118 117 HIS B Protein S 3 FT #SUB 7 6 ASN A 120 119 GLY B Protein S 4 FT #SUB 8 7 HIS A 67 66 HIS B Protein S 1 FT #SUB 8 7 HIS A 68 67 MSE B Protein B 2 FT #SUB 8 7 HIS A 69 68 ALA B Protein A 11 FT #SUB 8 7 HIS A 116 115 GLU B Protein S 6 FT #SUB 9 8 ILE A 67 66 HIS B Protein A 3 FT #SUB 9 8 ILE A 68 67 MSE B Protein S 1 FT #SUB 10 9 CYS A 66 65 THR B Protein B 4 FT #SUB 10 9 CYS A 67 66 HIS B Protein A 9 FT #SUB 11 10 PHE A 66 65 THR B Protein B 2 FT #SUB 12 11 SER A 64 63 SER B Protein S 2 FT #SUB 12 11 SER A 65 64 TYR B Protein S 1 FT #SUB 12 11 SER A 66 65 THR B Protein A 4 FT #SUB 27 26 LEU A 3 2 LEU B Protein B 2 FT #SUB 28 27 GLN A 3 2 LEU B Protein S 1 FT #SUB 32 31 LEU A 122 121 LEU B Protein S 1 FT #SUB 38 37 LEU A 129 128 TYR B Protein S 1 FT #SUB 40 39 TYR A 125 124 ARG B Protein S 5 FT #SUB 40 39 TYR A 129 128 TYR B Protein S 6 FT #SUB 43 42 LEU A 3 2 LEU B Protein S 1 FT #SUB 44 43 ASN A 3 2 LEU B Protein S 4 FT #SUB 44 43 ASN A 5 4 GLY B Protein S 1 FT #SUB 46 45 LEU A 6 5 ILE B Protein S 1 FT #SUB 47 46 TRP A 121 120 THR B Protein S 2 FT #SUB 47 46 TRP A 122 121 LEU B Protein S 14 FT #SUB 47 46 TRP A 125 124 ARG B Protein S 1 FT #SUB 51 50 ASN A 65 64 TYR B Protein S 2 FT #SUB 53 52 GLU A 63 62 GLN B Protein S 3 FT #SUB 53 52 GLU A 64 63 SER B Protein S 2 FT #SUB 53 52 GLU A 65 64 TYR B Protein S 7 FT #SUB 56 55 ILE A 63 62 GLN B Protein S 4 FT #SUB 56 55 ILE A 64 63 SER B Protein S 2 FT #SUB 57 56 PRO A 60 59 GLU B Protein S 4 FT #SUB 57 56 PRO A 63 62 GLN B Protein S 5 FT #SUB 59 58 ASN A 60 59 GLU B Protein A 4 FT #SUB 60 59 GLU A 57 56 PRO B Protein S 9 FT #SUB 60 59 GLU A 58 57 ARG B Protein S 3 FT #SUB 60 59 GLU A 59 58 ASN B Protein S 14 FT #SUB 60 59 GLU A 60 59 GLU B Protein A 18 FT #SUB 63 62 GLN A 53 52 GLU B Protein B 1 FT #SUB 63 62 GLN A 56 55 ILE B Protein B 2 FT #SUB 63 62 GLN A 57 56 PRO B Protein S 5 FT #SUB 64 63 SER A 12 11 SER B Protein S 1 FT #SUB 64 63 SER A 53 52 GLU B Protein B 1 FT #SUB 64 63 SER A 56 55 ILE B Protein B 1 FT #SUB 65 64 TYR A 12 11 SER B Protein B 1 FT #SUB 65 64 TYR A 51 50 ASN B Protein S 2 FT #SUB 65 64 TYR A 53 52 GLU B Protein A 6 FT #SUB 66 65 THR A 10 9 CYS B Protein A 5 FT #SUB 66 65 THR A 11 10 PHE B Protein S 3 FT #SUB 66 65 THR A 12 11 SER B Protein A 4 FT #SUB 66 65 THR A 113 112 HIS B Protein S 5 FT #SUB 67 66 HIS A 8 7 HIS B Protein S 1 FT #SUB 67 66 HIS A 9 8 ILE B Protein B 3 FT #SUB 67 66 HIS A 10 9 CYS B Protein A 10 FT #SUB 68 67 MSE A 8 7 HIS B Protein B 2 FT #SUB 68 67 MSE A 9 8 ILE B Protein S 2 FT #SUB 69 68 ALA A 6 5 ILE B Protein B 4 FT #SUB 69 68 ALA A 7 6 ASN B Protein B 5 FT #SUB 69 68 ALA A 8 7 HIS B Protein A 8 FT #SUB 70 69 PHE A 3 2 LEU B Protein S 2 FT #SUB 70 69 PHE A 5 4 GLY B Protein A 5 FT #SUB 70 69 PHE A 6 5 ILE B Protein S 2 FT #SUB 70 69 PHE A 7 6 ASN B Protein B 2 FT #SUB 71 70 THR A 3 2 LEU B Protein B 2 FT #SUB 71 70 THR A 4 3 GLN B Protein A 9 FT #SUB 71 70 THR A 5 4 GLY B Protein A 4 FT #SUB 71 70 THR A 7 6 ASN B Protein A 7 FT #SUB 72 71 VAL A 4 3 GLN B Protein B 1 FT #SUB 73 72 THR A 4 3 GLN B Protein A 2 FT #SUB 113 112 HIS A 66 65 THR B Protein S 6 FT #SUB 116 115 GLU A 8 7 HIS B Protein S 4 FT #SUB 117 116 PHE A 3 2 LEU B Protein S 1 FT #SUB 118 117 HIS A 7 6 ASN B Protein S 4 FT #SUB 120 119 GLY A 7 6 ASN B Protein B 3 FT #SUB 121 120 THR A 47 46 TRP B Protein B 3 FT #SUB 122 121 LEU A 32 31 LEU B Protein S 1 FT #SUB 122 121 LEU A 47 46 TRP B Protein A 11 FT #SUB 125 124 ARG A 40 39 TYR B Protein S 4 FT #SUB 125 124 ARG A 47 46 TRP B Protein S 4 FT #SUB 126 125 LEU A 32 31 LEU B Protein S 1 FT #SUB 129 128 TYR A 40 39 TYR B Protein S 4 FT #HET 8 7 HIS A 5 201 ZN B S 3 FT #HET 8 7 HIS A 6 202 FCN B S 8 FT #HET 10 9 CYS A 6 202 FCN B S 2 FT #HET 18 17 LYS A 4 204 EDO A A 8 FT #HET 21 20 GLU A 3 203 EDO A B 2 FT #HET 21 20 GLU A 4 204 EDO A S 4 FT #HET 22 21 PHE A 3 203 EDO A A 3 FT #HET 22 21 PHE A 4 204 EDO A B 1 FT #HET 47 46 TRP A 6 202 FCN B S 2 FT #HET 49 48 ALA A 6 202 FCN B S 1 FT #HET 51 50 ASN A 6 202 FCN B S 1 FT #HET 65 64 TYR A 2 202 FCN A S 5 FT #HET 65 64 TYR A 7 203 EDO B S 7 FT #HET 67 66 HIS A 1 201 ZN A S 3 FT #HET 67 66 HIS A 2 202 FCN A S 5 FT #HET 87 86 ASN A 3 203 EDO A B 4 FT #HET 88 87 ASP A 3 203 EDO A B 2 FT #HET 89 88 VAL A 3 203 EDO A S 2 FT #HET 95 94 ARG A 2 202 FCN A S 9 FT #HET 95 94 ARG A 7 203 EDO B A 2 FT #HET 106 105 TYR A 2 202 FCN A S 5 FT #HET 110 109 PRO A 4 204 EDO A S 3 FT #HET 116 115 GLU A 1 201 ZN A S 3 FT #HET 116 115 GLU A 2 202 FCN A S 3 FT #HET 125 124 ARG A 2 202 FCN A S 4 FT DISORDER 148 148 CC SEQUENCE 147 AA (ATOM); CC MMLQGINHIC FSVSNLEKSI EFYQKILQAK LLVKGRKLAY FDLNGLWIAL NVEEDIPRNE CC IKQSYTHMAF TVTNEALDHL KEVLIQNDVN ILPGRERDER DQRSLYFTDP DGHKFEFHTG CC TLQNRLEYYK EDKKHMTFYI AGENLYF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MMLQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIAL CC ATOM MMLQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIAL CC ************************************************** CC SEQRES NVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDER CC ATOM NVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDER CC ************************************************** CC SEQRES DQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHMTFYIAGENLYFQ CC ATOM DQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHMTFYIAGENLYF- CC *********************************************** SQ SEQUENCE 148 AA; MW; CN; MMLQGINHIC FSVSNLEKSI EFYQKILQAK LLVKGRKLAY FDLNGLWIAL NVEEDIPRNE IKQSYTHMAF TVTNEALDHL KEVLIQNDVN ILPGRERDER DQRSLYFTDP DGHKFEFHTG TLQNRLEYYK EDKKHMTFYI AGENLYFQ // ID 4IR0B STANDARD; PRT; 148 AA. DT CONVERTED FROM PDB (SEQRES) 4IR0 DE Metallothiol transferase FosB 2 OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.600 CC R-Factor 0.187 FT #SUB 3 2 LEU B 27 26 LEU A Protein S 2 FT #SUB 3 2 LEU B 28 27 GLN A Protein B 1 FT #SUB 3 2 LEU B 43 42 LEU A Protein S 1 FT #SUB 3 2 LEU B 44 43 ASN A Protein A 4 FT #SUB 3 2 LEU B 70 69 PHE A Protein S 2 FT #SUB 3 2 LEU B 71 70 THR A Protein B 2 FT #SUB 3 2 LEU B 117 116 PHE A Protein S 1 FT #SUB 4 3 GLN B 71 70 THR A Protein A 9 FT #SUB 4 3 GLN B 72 71 VAL A Protein S 1 FT #SUB 4 3 GLN B 73 72 THR A Protein S 2 FT #SUB 5 4 GLY B 44 43 ASN A Protein B 1 FT #SUB 5 4 GLY B 70 69 PHE A Protein B 5 FT #SUB 5 4 GLY B 71 70 THR A Protein B 4 FT #SUB 6 5 ILE B 46 45 LEU A Protein S 1 FT #SUB 6 5 ILE B 69 68 ALA A Protein A 4 FT #SUB 6 5 ILE B 70 69 PHE A Protein B 2 FT #SUB 7 6 ASN B 69 68 ALA A Protein A 5 FT #SUB 7 6 ASN B 70 69 PHE A Protein A 2 FT #SUB 7 6 ASN B 71 70 THR A Protein A 7 FT #SUB 7 6 ASN B 118 117 HIS A Protein S 4 FT #SUB 7 6 ASN B 120 119 GLY A Protein S 3 FT #SUB 8 7 HIS B 67 66 HIS A Protein S 1 FT #SUB 8 7 HIS B 68 67 MSE A Protein B 2 FT #SUB 8 7 HIS B 69 68 ALA A Protein A 8 FT #SUB 8 7 HIS B 116 115 GLU A Protein S 4 FT #SUB 9 8 ILE B 67 66 HIS A Protein A 3 FT #SUB 9 8 ILE B 68 67 MSE A Protein S 2 FT #SUB 10 9 CYS B 66 65 THR A Protein B 5 FT #SUB 10 9 CYS B 67 66 HIS A Protein A 10 FT #SUB 11 10 PHE B 66 65 THR A Protein A 3 FT #SUB 12 11 SER B 64 63 SER A Protein S 1 FT #SUB 12 11 SER B 65 64 TYR A Protein S 1 FT #SUB 12 11 SER B 66 65 THR A Protein A 4 FT #SUB 27 26 LEU B 3 2 LEU A Protein B 1 FT #SUB 28 27 GLN B 1 0 MSE A Protein S 4 FT #SUB 28 27 GLN B 2 1 MSE A Protein S 1 FT #SUB 28 27 GLN B 3 2 LEU A Protein S 1 FT #SUB 32 31 LEU B 122 121 LEU A Protein S 1 FT #SUB 32 31 LEU B 126 125 LEU A Protein S 1 FT #SUB 40 39 TYR B 125 124 ARG A Protein S 4 FT #SUB 40 39 TYR B 129 128 TYR A Protein S 4 FT #SUB 44 43 ASN B 3 2 LEU A Protein S 1 FT #SUB 44 43 ASN B 4 3 GLN A Protein S 1 FT #SUB 44 43 ASN B 5 4 GLY A Protein S 6 FT #SUB 47 46 TRP B 121 120 THR A Protein S 3 FT #SUB 47 46 TRP B 122 121 LEU A Protein S 11 FT #SUB 47 46 TRP B 125 124 ARG A Protein S 4 FT #SUB 51 50 ASN B 65 64 TYR A Protein S 2 FT #SUB 53 52 GLU B 63 62 GLN A Protein S 1 FT #SUB 53 52 GLU B 64 63 SER A Protein S 1 FT #SUB 53 52 GLU B 65 64 TYR A Protein S 6 FT #SUB 56 55 ILE B 63 62 GLN A Protein S 2 FT #SUB 56 55 ILE B 64 63 SER A Protein S 1 FT #SUB 57 56 PRO B 60 59 GLU A Protein A 9 FT #SUB 57 56 PRO B 63 62 GLN A Protein S 5 FT #SUB 58 57 ARG B 60 59 GLU A Protein B 3 FT #SUB 59 58 ASN B 60 59 GLU A Protein A 14 FT #SUB 60 59 GLU B 57 56 PRO A Protein S 4 FT #SUB 60 59 GLU B 59 58 ASN A Protein S 4 FT #SUB 60 59 GLU B 60 59 GLU A Protein A 18 FT #SUB 63 62 GLN B 53 52 GLU A Protein B 3 FT #SUB 63 62 GLN B 56 55 ILE A Protein A 4 FT #SUB 63 62 GLN B 57 56 PRO A Protein S 5 FT #SUB 64 63 SER B 12 11 SER A Protein S 2 FT #SUB 64 63 SER B 53 52 GLU A Protein B 2 FT #SUB 64 63 SER B 56 55 ILE A Protein A 2 FT #SUB 65 64 TYR B 12 11 SER A Protein B 1 FT #SUB 65 64 TYR B 51 50 ASN A Protein S 2 FT #SUB 65 64 TYR B 53 52 GLU A Protein A 7 FT #SUB 66 65 THR B 10 9 CYS A Protein A 4 FT #SUB 66 65 THR B 11 10 PHE A Protein S 2 FT #SUB 66 65 THR B 12 11 SER A Protein A 4 FT #SUB 66 65 THR B 113 112 HIS A Protein S 6 FT #SUB 67 66 HIS B 8 7 HIS A Protein S 1 FT #SUB 67 66 HIS B 9 8 ILE A Protein B 3 FT #SUB 67 66 HIS B 10 9 CYS A Protein A 9 FT #SUB 68 67 MSE B 8 7 HIS A Protein B 2 FT #SUB 68 67 MSE B 9 8 ILE A Protein S 1 FT #SUB 69 68 ALA B 6 5 ILE A Protein B 3 FT #SUB 69 68 ALA B 7 6 ASN A Protein B 6 FT #SUB 69 68 ALA B 8 7 HIS A Protein A 11 FT #SUB 70 69 PHE B 3 2 LEU A Protein S 3 FT #SUB 70 69 PHE B 5 4 GLY A Protein A 3 FT #SUB 70 69 PHE B 7 6 ASN A Protein B 2 FT #SUB 71 70 THR B 3 2 LEU A Protein B 2 FT #SUB 71 70 THR B 4 3 GLN A Protein A 5 FT #SUB 71 70 THR B 5 4 GLY A Protein A 4 FT #SUB 71 70 THR B 7 6 ASN A Protein A 7 FT #SUB 73 72 THR B 1 0 MSE A Protein S 1 FT #SUB 73 72 THR B 4 3 GLN A Protein S 1 FT #SUB 75 74 GLU B 1 0 MSE A Protein A 7 FT #SUB 76 75 ALA B 1 0 MSE A Protein A 9 FT #SUB 79 78 HIS B 1 0 MSE A Protein S 2 FT #SUB 80 79 LEU B 1 0 MSE A Protein S 1 FT #SUB 113 112 HIS B 66 65 THR A Protein S 5 FT #SUB 116 115 GLU B 8 7 HIS A Protein S 6 FT #SUB 117 116 PHE B 3 2 LEU A Protein S 3 FT #SUB 118 117 HIS B 7 6 ASN A Protein S 3 FT #SUB 120 119 GLY B 7 6 ASN A Protein B 4 FT #SUB 121 120 THR B 47 46 TRP A Protein B 2 FT #SUB 122 121 LEU B 32 31 LEU A Protein S 1 FT #SUB 122 121 LEU B 47 46 TRP A Protein A 14 FT #SUB 125 124 ARG B 40 39 TYR A Protein S 5 FT #SUB 125 124 ARG B 47 46 TRP A Protein S 1 FT #SUB 129 128 TYR B 38 37 LEU A Protein S 1 FT #SUB 129 128 TYR B 40 39 TYR A Protein S 6 FT #HET 8 7 HIS B 1 201 ZN A S 3 FT #HET 8 7 HIS B 2 202 FCN A S 8 FT #HET 10 9 CYS B 2 202 FCN A S 3 FT #HET 47 46 TRP B 2 202 FCN A S 2 FT #HET 49 48 ALA B 2 202 FCN A S 1 FT #HET 51 50 ASN B 2 202 FCN A S 1 FT #HET 53 52 GLU B 7 203 EDO B S 2 FT #HET 65 64 TYR B 6 202 FCN B S 5 FT #HET 67 66 HIS B 5 201 ZN B S 3 FT #HET 67 66 HIS B 6 202 FCN B S 3 FT #HET 88 87 ASP B 8 204 EDO B B 1 FT #HET 89 88 VAL B 8 204 EDO B B 1 FT #HET 90 89 ASN B 8 204 EDO B A 2 FT #HET 91 90 ILE B 8 204 EDO B B 1 FT #HET 95 94 ARG B 6 202 FCN B S 9 FT #HET 106 105 TYR B 5 201 ZN B S 1 FT #HET 106 105 TYR B 6 202 FCN B S 5 FT #HET 116 115 GLU B 5 201 ZN B S 3 FT #HET 116 115 GLU B 6 202 FCN B S 3 FT #HET 125 124 ARG B 6 202 FCN B S 4 FT DISORDER 1 2 FT DISORDER 137 148 CC SEQUENCE 134 AA (ATOM); CC LQGINHICFS VSNLEKSIEF YQKILQAKLL VKGRKLAYFD LNGLWIALNV EEDIPRNEIK CC QSYTHMAFTV TNEALDHLKE VLIQNDVNIL PGRERDERDQ RSLYFTDPDG HKFEFHTGTL CC QNRLEYYKED KKHM CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MMLQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIAL CC ATOM --LQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIAL CC ************************************************ CC SEQRES NVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDER CC ATOM NVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDER CC ************************************************** CC SEQRES DQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHMTFYIAGENLYFQ CC ATOM DQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHM------------ CC ************************************ SQ SEQUENCE 148 AA; MW; CN; MMLQGINHIC FSVSNLEKSI EFYQKILQAK LLVKGRKLAY FDLNGLWIAL NVEEDIPRNE IKQSYTHMAF TVTNEALDHL KEVLIQNDVN ILPGRERDER DQRSLYFTDP DGHKFEFHTG TLQNRLEYYK EDKKHMTFYI AGENLYFQ //