3SWI
E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MOE A 420 |
| Chain | Residue |
| A | PRO121 |
| A | HIS125 |
| A | GLY164 |
| A | UPN427 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MOE A 421 |
| Chain | Residue |
| A | LYS248 |
| A | VAL250 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PG0 A 422 |
| Chain | Residue |
| A | TYR142 |
| A | LYS144 |
| A | HOH529 |
| A | SER81 |
| A | GLN108 |
| A | GLU140 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG0 A 423 |
| Chain | Residue |
| A | LYS55 |
| A | GLN59 |
| A | LEU86 |
| A | ILE244 |
| A | GLY286 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PG0 A 424 |
| Chain | Residue |
| A | VAL192 |
| A | ASP193 |
| A | ASN196 |
| A | LEU229 |
| A | GLN255 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 425 |
| Chain | Residue |
| A | QPA115 |
| A | UD2426 |
| A | HOH472 |
| A | HOH500 |
| A | HOH537 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE UD2 A 426 |
| Chain | Residue |
| A | LYS88 |
| A | THR89 |
| A | GLY114 |
| A | QPA115 |
| A | GLU337 |
| A | MET366 |
| A | THR368 |
| A | ARG391 |
| A | TYR393 |
| A | HIS394 |
| A | MG425 |
| A | HOH469 |
| A | HOH472 |
| A | HOH537 |
| site_id | AC8 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE UPN A 427 |
| Chain | Residue |
| A | LYS22 |
| A | ASN23 |
| A | TRP95 |
| A | ALA119 |
| A | ARG120 |
| A | PRO121 |
| A | VAL122 |
| A | ASP123 |
| A | LEU124 |
| A | LYS160 |
| A | SER162 |
| A | VAL163 |
| A | GLY164 |
| A | ASP305 |
| A | ILE327 |
| A | MOE420 |
| A | HOH441 |
| A | HOH442 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"20392080","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3LTH","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00111","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20392080","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3LTH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3SWQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"2-(S-cysteinyl)pyruvic acid O-phosphothioketal","evidences":[{"source":"PubMed","id":"22378791","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| 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 | ALA119 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| A | GLY128 | electrostatic stabiliser, proton acceptor, proton donor |
| A | LEU313 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | LYS405 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
