ID 3MLAA STANDARD; PRT; 191 AA. DT CONVERTED FROM PDB (SEQRES) 3MLA DE nicotinate-nucleotide adenylyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.750 CC R-Factor 0.191 FT #SUB 10 8 GLY A 114 112 TYR B Protein B 2 FT #SUB 11 9 GLY A 113 111 GLU B Protein B 2 FT #SUB 11 9 GLY A 114 112 TYR B Protein B 2 FT #SUB 12 10 THR A 113 111 GLU B Protein A 8 FT #SUB 14 12 ASP A 141 139 ARG B Protein S 2 FT #SUB 41 39 ASN A 114 112 TYR B Protein S 2 FT #SUB 41 39 ASN A 117 115 LYS B Protein S 4 FT #SUB 43 41 ILE A 143 141 PRO B Protein S 1 FT #SUB 44 42 PRO A 116 114 PRO B Protein S 2 FT #SUB 44 42 PRO A 143 141 PRO B Protein A 3 FT #SUB 44 42 PRO A 144 142 TYR B Protein S 2 FT #SUB 45 43 PRO A 143 141 PRO B Protein B 2 FT #SUB 46 44 HIS A 142 140 THR B Protein S 2 FT #SUB 46 44 HIS A 143 141 PRO B Protein A 10 FT #SUB 47 45 LYS A 122 120 GLU B Protein S 5 FT #SUB 47 45 LYS A 143 141 PRO B Protein A 5 FT #SUB 47 45 LYS A 144 142 TYR B Protein S 3 FT #SUB 47 45 LYS A 145 143 PRO B Protein S 1 FT #SUB 51 49 ASN A 141 139 ARG B Protein A 4 FT #SUB 52 50 ILE A 141 139 ARG B Protein B 2 FT #SUB 53 51 THR A 141 139 ARG B Protein A 4 FT #SUB 78 76 GLU A 117 115 LYS B Protein S 4 FT #SUB 84 82 PRO A 116 114 PRO B Protein S 3 FT #SUB 85 83 SER A 117 115 LYS B Protein B 3 FT #SUB 86 84 TYR A 117 115 LYS B Protein S 2 FT #SUB 86 84 TYR A 118 116 TRP B Protein S 1 FT #SUB 86 84 TYR A 119 117 TYR B Protein S 4 FT #SUB 86 84 TYR A 120 118 ASN B Protein S 1 FT #SUB 87 85 THR A 117 115 LYS B Protein S 1 FT #SUB 113 111 GLU A 11 9 GLY B Protein S 2 FT #SUB 113 111 GLU A 12 10 THR B Protein S 6 FT #SUB 114 112 TYR A 10 8 GLY B Protein S 3 FT #SUB 114 112 TYR A 11 9 GLY B Protein S 3 FT #SUB 114 112 TYR A 41 39 ASN B Protein S 2 FT #SUB 116 114 PRO A 44 42 PRO B Protein S 4 FT #SUB 116 114 PRO A 84 82 PRO B Protein A 3 FT #SUB 117 115 LYS A 41 39 ASN B Protein S 4 FT #SUB 117 115 LYS A 78 76 GLU B Protein S 4 FT #SUB 117 115 LYS A 85 83 SER B Protein S 4 FT #SUB 117 115 LYS A 86 84 TYR B Protein B 2 FT #SUB 118 116 TRP A 86 84 TYR B Protein B 1 FT #SUB 119 117 TYR A 86 84 TYR B Protein A 4 FT #SUB 119 117 TYR A 119 117 TYR B Protein S 1 FT #SUB 120 118 ASN A 86 84 TYR B Protein B 1 FT #SUB 137 135 GLY A 163 161 GLU B Protein B 3 FT #SUB 138 136 TYR A 159 157 SER B Protein S 1 FT #SUB 138 136 TYR A 160 158 LEU B Protein S 3 FT #SUB 138 136 TYR A 163 161 GLU B Protein S 1 FT #SUB 139 137 LYS A 159 157 SER B Protein B 4 FT #SUB 139 137 LYS A 162 160 ARG B Protein B 1 FT #SUB 139 137 LYS A 163 161 GLU B Protein S 4 FT #SUB 139 137 LYS A 166 164 LYS B Protein S 3 FT #SUB 141 139 ARG A 14 12 ASP B Protein S 2 FT #SUB 141 139 ARG A 51 49 ASN B Protein S 2 FT #SUB 141 139 ARG A 52 50 ILE B Protein S 2 FT #SUB 141 139 ARG A 53 51 THR B Protein S 4 FT #SUB 141 139 ARG A 162 160 ARG B Protein A 7 FT #SUB 143 141 PRO A 43 41 ILE B Protein S 1 FT #SUB 143 141 PRO A 44 42 PRO B Protein S 2 FT #SUB 143 141 PRO A 45 43 PRO B Protein S 2 FT #SUB 144 142 TYR A 44 42 PRO B Protein S 1 FT #SUB 155 153 ALA A 135 133 ARG B Protein B 1 FT #SUB 155 153 ALA A 138 136 TYR B Protein B 1 FT #SUB 157 155 SER A 138 136 TYR B Protein S 2 FT #SUB 159 157 SER A 138 136 TYR B Protein A 2 FT #SUB 159 157 SER A 139 137 LYS B Protein A 10 FT #SUB 160 158 LEU A 137 135 GLY B Protein A 2 FT #SUB 160 158 LEU A 138 136 TYR B Protein A 2 FT #SUB 162 160 ARG A 139 137 LYS B Protein S 4 FT #SUB 162 160 ARG A 140 138 LEU B Protein S 1 FT #SUB 162 160 ARG A 141 139 ARG B Protein S 6 FT #SUB 163 161 GLU A 137 135 GLY B Protein S 2 FT #SUB 163 161 GLU A 139 137 LYS B Protein S 3 FT #HET 9 7 ILE A 1 190 JJZ A S 6 FT #HET 10 8 GLY A 1 190 JJZ A B 7 FT #HET 23 21 ILE A 1 190 JJZ A S 1 FT #HET 37 35 TRP A 4 193 DMS A S 8 FT #HET 73 71 SER A 4 193 DMS A S 1 FT #HET 74 72 ILE A 4 193 DMS A B 4 FT #HET 75 73 CYS A 4 193 DMS A A 2 FT #HET 84 82 PRO A 2 191 FMT A B 2 FT #HET 86 84 TYR A 2 191 FMT A S 5 FT #HET 86 84 TYR A 3 192 FMT A S 5 FT #HET 86 84 TYR A 5 194 FMT A B 2 FT #HET 87 85 THR A 1 190 JJZ A S 1 FT #HET 87 85 THR A 5 194 FMT A A 10 FT #HET 98 96 TYR A 4 193 DMS A S 2 FT #HET 105 103 PHE A 1 190 JJZ A S 2 FT #HET 106 104 ILE A 1 190 JJZ A B 5 FT #HET 107 105 ILE A 1 190 JJZ A A 7 FT #HET 108 106 GLY A 1 190 JJZ A B 5 FT #HET 111 109 MET A 1 190 JJZ A S 27 FT #HET 114 112 TYR A 1 190 JJZ A S 24 FT #HET 117 115 LYS A 1 190 JJZ A A 4 FT #HET 117 115 LYS A 8 192 FMT B S 2 FT #HET 118 116 TRP A 1 190 JJZ A A 28 FT #HET 118 116 TRP A 5 194 FMT A S 5 FT #HET 133 131 VAL A 1 190 JJZ A S 1 FT DISORDER 1 2 FT DISORDER 191 191 CC SEQUENCE 188 AA (ATOM); CC MRKIGIIGGT FDPPHYGHLL IANEVYHALN LEEVWFLPNQ IPPHKQGRNI TSVESRLQML CC ELATEAEEHF SICLEELSRK GPSYTYDTML QLTKKYPDVQ FHFIIGGDMV EYLPKWYNIE CC ALLDLVTFVG VARPGYKLRT PYPITTVEIP EFAVSSSLLR ERYKEKKTCK YLLPEKVQVY CC IERNGLYE CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GAMRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPHKQGR CC ATOM --MRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPHKQGR CC ************************************************ CC SEQRES NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPD CC ATOM NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPD CC ************************************************** CC SEQRES VQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVE CC ATOM VQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVE CC ************************************************** CC SEQRES IPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYES CC ATOM IPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYE- CC **************************************** SQ SEQUENCE 191 AA; MW; CN; GAMRKIGIIG GTFDPPHYGH LLIANEVYHA LNLEEVWFLP NQIPPHKQGR NITSVESRLQ MLELATEAEE HFSICLEELS RKGPSYTYDT MLQLTKKYPD VQFHFIIGGD MVEYLPKWYN IEALLDLVTF VGVARPGYKL RTPYPITTVE IPEFAVSSSL LRERYKEKKT CKYLLPEKVQ VYIERNGLYE S // ID 3MLAB STANDARD; PRT; 191 AA. DT CONVERTED FROM PDB (SEQRES) 3MLA DE nicotinate-nucleotide adenylyltransferase OS Bacillus anthracis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 1.750 CC R-Factor 0.191 FT #SUB 10 8 GLY B 114 112 TYR A Protein B 3 FT #SUB 11 9 GLY B 113 111 GLU A Protein B 2 FT #SUB 11 9 GLY B 114 112 TYR A Protein B 3 FT #SUB 12 10 THR B 113 111 GLU A Protein A 6 FT #SUB 14 12 ASP B 141 139 ARG A Protein S 2 FT #SUB 41 39 ASN B 114 112 TYR A Protein S 2 FT #SUB 41 39 ASN B 117 115 LYS A Protein S 4 FT #SUB 43 41 ILE B 143 141 PRO A Protein S 1 FT #SUB 44 42 PRO B 116 114 PRO A Protein S 4 FT #SUB 44 42 PRO B 143 141 PRO A Protein B 2 FT #SUB 44 42 PRO B 144 142 TYR A Protein S 1 FT #SUB 45 43 PRO B 143 141 PRO A Protein B 2 FT #SUB 51 49 ASN B 141 139 ARG A Protein B 2 FT #SUB 52 50 ILE B 141 139 ARG A Protein B 2 FT #SUB 53 51 THR B 141 139 ARG A Protein A 4 FT #SUB 78 76 GLU B 117 115 LYS A Protein S 4 FT #SUB 84 82 PRO B 116 114 PRO A Protein S 3 FT #SUB 85 83 SER B 117 115 LYS A Protein B 4 FT #SUB 86 84 TYR B 117 115 LYS A Protein S 2 FT #SUB 86 84 TYR B 118 116 TRP A Protein S 1 FT #SUB 86 84 TYR B 119 117 TYR A Protein S 4 FT #SUB 86 84 TYR B 120 118 ASN A Protein S 1 FT #SUB 113 111 GLU B 11 9 GLY A Protein S 2 FT #SUB 113 111 GLU B 12 10 THR A Protein A 8 FT #SUB 114 112 TYR B 10 8 GLY A Protein S 2 FT #SUB 114 112 TYR B 11 9 GLY A Protein S 2 FT #SUB 114 112 TYR B 41 39 ASN A Protein S 2 FT #SUB 116 114 PRO B 44 42 PRO A Protein S 2 FT #SUB 116 114 PRO B 84 82 PRO A Protein A 3 FT #SUB 117 115 LYS B 41 39 ASN A Protein S 4 FT #SUB 117 115 LYS B 78 76 GLU A Protein S 4 FT #SUB 117 115 LYS B 85 83 SER A Protein S 3 FT #SUB 117 115 LYS B 86 84 TYR A Protein B 2 FT #SUB 117 115 LYS B 87 85 THR A Protein S 1 FT #SUB 118 116 TRP B 86 84 TYR A Protein B 1 FT #SUB 119 117 TYR B 86 84 TYR A Protein A 4 FT #SUB 119 117 TYR B 119 117 TYR A Protein S 1 FT #SUB 120 118 ASN B 86 84 TYR A Protein B 1 FT #SUB 122 120 GLU B 47 45 LYS A Protein S 5 FT #SUB 135 133 ARG B 155 153 ALA A Protein S 1 FT #SUB 137 135 GLY B 160 158 LEU A Protein B 2 FT #SUB 137 135 GLY B 163 161 GLU A Protein B 2 FT #SUB 138 136 TYR B 155 153 ALA A Protein S 1 FT #SUB 138 136 TYR B 157 155 SER A Protein S 2 FT #SUB 138 136 TYR B 159 157 SER A Protein A 2 FT #SUB 138 136 TYR B 160 158 LEU A Protein S 2 FT #SUB 139 137 LYS B 159 157 SER A Protein A 10 FT #SUB 139 137 LYS B 162 160 ARG A Protein B 4 FT #SUB 139 137 LYS B 163 161 GLU A Protein S 3 FT #SUB 140 138 LEU B 162 160 ARG A Protein B 1 FT #SUB 141 139 ARG B 14 12 ASP A Protein S 2 FT #SUB 141 139 ARG B 51 49 ASN A Protein S 4 FT #SUB 141 139 ARG B 52 50 ILE A Protein S 2 FT #SUB 141 139 ARG B 53 51 THR A Protein S 4 FT #SUB 141 139 ARG B 162 160 ARG A Protein A 6 FT #SUB 142 140 THR B 46 44 HIS A Protein B 2 FT #SUB 143 141 PRO B 43 41 ILE A Protein S 1 FT #SUB 143 141 PRO B 44 42 PRO A Protein S 3 FT #SUB 143 141 PRO B 45 43 PRO A Protein S 2 FT #SUB 143 141 PRO B 46 44 HIS A Protein A 10 FT #SUB 143 141 PRO B 47 45 LYS A Protein B 5 FT #SUB 144 142 TYR B 44 42 PRO A Protein S 2 FT #SUB 144 142 TYR B 47 45 LYS A Protein A 3 FT #SUB 145 143 PRO B 47 45 LYS A Protein S 1 FT #SUB 159 157 SER B 138 136 TYR A Protein S 1 FT #SUB 159 157 SER B 139 137 LYS A Protein S 4 FT #SUB 160 158 LEU B 138 136 TYR A Protein S 3 FT #SUB 162 160 ARG B 139 137 LYS A Protein S 1 FT #SUB 162 160 ARG B 141 139 ARG A Protein S 7 FT #SUB 163 161 GLU B 137 135 GLY A Protein S 3 FT #SUB 163 161 GLU B 138 136 TYR A Protein S 1 FT #SUB 163 161 GLU B 139 137 LYS A Protein S 4 FT #SUB 166 164 LYS B 139 137 LYS A Protein S 3 FT #HET 9 7 ILE B 1 190 JJZ A S 6 FT #HET 10 8 GLY B 1 190 JJZ A B 7 FT #HET 20 18 HIS B 1 190 JJZ A A 4 FT #HET 23 21 ILE B 1 190 JJZ A S 2 FT #HET 37 35 TRP B 6 190 FMT B S 3 FT #HET 73 71 SER B 6 190 FMT B S 1 FT #HET 74 72 ILE B 6 190 FMT B B 3 FT #HET 84 82 PRO B 7 191 DMS B B 2 FT #HET 85 83 SER B 7 191 DMS B B 1 FT #HET 86 84 TYR B 7 191 DMS B A 14 FT #HET 86 84 TYR B 8 192 FMT B B 2 FT #HET 87 85 THR B 1 190 JJZ A S 1 FT #HET 87 85 THR B 8 192 FMT B A 10 FT #HET 105 103 PHE B 1 190 JJZ A S 2 FT #HET 106 104 ILE B 1 190 JJZ A B 5 FT #HET 107 105 ILE B 1 190 JJZ A A 6 FT #HET 108 106 GLY B 1 190 JJZ A B 3 FT #HET 111 109 MET B 1 190 JJZ A S 16 FT #HET 114 112 TYR B 1 190 JJZ A S 23 FT #HET 117 115 LYS B 1 190 JJZ A A 5 FT #HET 117 115 LYS B 5 194 FMT A S 4 FT #HET 118 116 TRP B 1 190 JJZ A A 34 FT #HET 118 116 TRP B 8 192 FMT B S 8 FT #HET 119 117 TYR B 3 192 FMT A S 1 FT #HET 120 118 ASN B 3 192 FMT A A 3 FT DISORDER 1 2 FT DISORDER 46 50 CC SEQUENCE 184 AA (ATOM); CC MRKIGIIGGT FDPPHYGHLL IANEVYHALN LEEVWFLPNQ IPPNITSVES RLQMLELATE CC AEEHFSICLE ELSRKGPSYT YDTMLQLTKK YPDVQFHFII GGDMVEYLPK WYNIEALLDL CC VTFVGVARPG YKLRTPYPIT TVEIPEFAVS SSLLRERYKE KKTCKYLLPE KVQVYIERNG CC LYES CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES GAMRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPPHKQGR CC ATOM --MRKIGIIGGTFDPPHYGHLLIANEVYHALNLEEVWFLPNQIPP----- CC ******************************************* CC SEQRES NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPD CC ATOM NITSVESRLQMLELATEAEEHFSICLEELSRKGPSYTYDTMLQLTKKYPD CC ************************************************** CC SEQRES VQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVE CC ATOM VQFHFIIGGDMVEYLPKWYNIEALLDLVTFVGVARPGYKLRTPYPITTVE CC ************************************************** CC SEQRES IPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYES CC ATOM IPEFAVSSSLLRERYKEKKTCKYLLPEKVQVYIERNGLYES CC ***************************************** SQ SEQUENCE 191 AA; MW; CN; GAMRKIGIIG GTFDPPHYGH LLIANEVYHA LNLEEVWFLP NQIPPHKQGR NITSVESRLQ MLELATEAEE HFSICLEELS RKGPSYTYDT MLQLTKKYPD VQFHFIIGGD MVEYLPKWYN IEALLDLVTF VGVARPGYKL RTPYPITTVE IPEFAVSSSL LRERYKEKKT CKYLLPEKVQ VYIERNGLYE S //