1YBG
MurA inhibited by a derivative of 5-sulfonoxy-anthranilic acid
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0008360 | biological_process | regulation of cell shape |
| A | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| A | 0009252 | biological_process | peptidoglycan biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| A | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| A | 0051301 | biological_process | cell division |
| A | 0071555 | biological_process | cell wall organization |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0008360 | biological_process | regulation of cell shape |
| B | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| B | 0009252 | biological_process | peptidoglycan biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| B | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| B | 0051301 | biological_process | cell division |
| B | 0071555 | biological_process | cell wall organization |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008360 | biological_process | regulation of cell shape |
| C | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| C | 0009252 | biological_process | peptidoglycan biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| C | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| C | 0051301 | biological_process | cell division |
| C | 0071555 | biological_process | cell wall organization |
| D | 0003824 | molecular_function | catalytic activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008360 | biological_process | regulation of cell shape |
| D | 0008760 | molecular_function | UDP-N-acetylglucosamine 1-carboxyvinyltransferase activity |
| D | 0009252 | biological_process | peptidoglycan biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016765 | molecular_function | transferase activity, transferring alkyl or aryl (other than methyl) groups |
| D | 0019277 | biological_process | UDP-N-acetylgalactosamine biosynthetic process |
| D | 0051301 | biological_process | cell division |
| D | 0071555 | biological_process | cell wall organization |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE TAV A 550 |
| Chain | Residue |
| A | LYS22 |
| A | GLY164 |
| A | PHE328 |
| A | HOH514 |
| A | HOH533 |
| A | ASN23 |
| A | LEU26 |
| A | ARG91 |
| A | ILE94 |
| A | TRP95 |
| A | PRO121 |
| A | HIS125 |
| A | VAL163 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE TAV B 650 |
| Chain | Residue |
| B | LYS22 |
| B | ASN23 |
| B | LEU26 |
| B | ARG91 |
| B | ALA92 |
| B | ILE94 |
| B | TRP95 |
| B | PRO121 |
| B | HIS125 |
| B | VAL163 |
| B | GLY164 |
| B | GLU190 |
| B | PHE328 |
| B | HOH499 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE TAV C 750 |
| Chain | Residue |
| C | LYS22 |
| C | ASN23 |
| C | LEU26 |
| C | ARG91 |
| C | ALA92 |
| C | ILE94 |
| C | TRP95 |
| C | PRO121 |
| C | HIS125 |
| C | GLY164 |
| C | PHE328 |
| C | HOH452 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE TAV D 850 |
| Chain | Residue |
| D | LYS22 |
| D | ASN23 |
| D | LEU26 |
| D | ARG91 |
| D | ALA92 |
| D | ILE94 |
| D | PRO121 |
| D | HIS125 |
| D | VAL163 |
| D | GLY164 |
| D | GLU190 |
| D | PHE328 |
| D | ARG397 |
| D | HOH480 |
| D | HOH495 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000269|PubMed:20392080, ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3LTH |
| Chain | Residue | Details |
| A | CYS115 | |
| B | CYS115 | |
| C | CYS115 | |
| D | CYS115 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:22378791, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | LYS22 | |
| B | LYS22 | |
| C | LYS22 | |
| D | LYS22 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00111 |
| Chain | Residue | Details |
| A | ARG91 | |
| B | ARG91 | |
| C | ARG91 | |
| D | ARG91 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20392080, ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3LTH, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | ARG120 | |
| D | ARG120 | |
| D | ASP305 | |
| D | ILE327 | |
| A | ASP305 | |
| A | ILE327 | |
| B | ARG120 | |
| B | ASP305 | |
| B | ILE327 | |
| C | ARG120 | |
| C | ASP305 | |
| C | ILE327 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | LYS160 | |
| B | LYS160 | |
| C | LYS160 | |
| D | LYS160 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: 2-(S-cysteinyl)pyruvic acid O-phosphothioketal => ECO:0000269|PubMed:22378791 |
| Chain | Residue | Details |
| A | CYS115 | |
| B | CYS115 | |
| C | CYS115 | |
| D | CYS115 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1uae |
| Chain | Residue | Details |
| A | ASP305 | |
| A | ARG397 | |
| A | CYS115 | |
| A | ASN23 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1uae |
| Chain | Residue | Details |
| B | ASP305 | |
| B | ARG397 | |
| B | CYS115 | |
| B | ASN23 |
| site_id | CSA3 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1uae |
| Chain | Residue | Details |
| C | ASP305 | |
| C | ARG397 | |
| C | CYS115 | |
| C | ASN23 |
| site_id | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1uae |
| Chain | Residue | Details |
| D | ASP305 | |
| D | ARG397 | |
| D | CYS115 | |
| D | ASN23 |
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 369 |
| Chain | Residue | Details |
| A | LYS22 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| A | ASN23 | electrostatic stabiliser, hydrogen bond donor |
| A | CYS115 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| A | ARG120 | electrostatic stabiliser, proton acceptor, proton donor |
| A | ASP305 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ARG397 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 369 |
| Chain | Residue | Details |
| B | LYS22 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| B | ASN23 | electrostatic stabiliser, hydrogen bond donor |
| B | CYS115 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| B | ARG120 | electrostatic stabiliser, proton acceptor, proton donor |
| B | ASP305 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ARG397 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA3 |
| Number of Residues | 6 |
| Details | M-CSA 369 |
| Chain | Residue | Details |
| C | LYS22 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| C | ASN23 | electrostatic stabiliser, hydrogen bond donor |
| C | CYS115 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| C | ARG120 | electrostatic stabiliser, proton acceptor, proton donor |
| C | ASP305 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ARG397 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA4 |
| Number of Residues | 6 |
| Details | M-CSA 369 |
| Chain | Residue | Details |
| D | LYS22 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
| D | ASN23 | electrostatic stabiliser, hydrogen bond donor |
| D | CYS115 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| D | ARG120 | electrostatic stabiliser, proton acceptor, proton donor |
| D | ASP305 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ARG397 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
