3UPK
E. cloacae MURA in complex with UNAG
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 PGE A 420 |
| Chain | Residue |
| A | GLN108 |
| A | TYR142 |
| A | LYS144 |
| A | HOH735 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 421 |
| Chain | Residue |
| A | HOH475 |
| A | HOH560 |
| A | HOH788 |
| A | LYS22 |
| A | ARG120 |
| A | LEU370 |
| A | EDO422 |
| A | UD1427 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 422 |
| Chain | Residue |
| A | ILE94 |
| A | ARG120 |
| A | HIS125 |
| A | GLY164 |
| A | EDO421 |
| A | UD1427 |
| A | HOH473 |
| A | HOH479 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 423 |
| Chain | Residue |
| A | GLU177 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 424 |
| Chain | Residue |
| A | TYR393 |
| A | HIS394 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 425 |
| Chain | Residue |
| A | GLY114 |
| A | MET333 |
| A | GLU337 |
| A | MET366 |
| A | HOH784 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 426 |
| Chain | Residue |
| A | ALA102 |
| A | ARG103 |
| A | ARG150 |
| A | HOH787 |
| site_id | AC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE UD1 A 427 |
| Chain | Residue |
| A | ASN23 |
| A | TRP95 |
| A | ALA119 |
| A | ARG120 |
| A | PRO121 |
| A | VAL122 |
| A | ASP123 |
| A | LEU124 |
| A | HIS125 |
| A | LYS160 |
| A | SER162 |
| A | VAL163 |
| A | GLY164 |
| A | THR304 |
| A | ASP305 |
| A | ILE327 |
| A | PHE328 |
| A | EDO421 |
| A | EDO422 |
| A | HOH473 |
| A | HOH476 |
| A | HOH493 |
| A | HOH509 |
| A | HOH515 |
| A | HOH517 |
| A | HOH520 |
| A | HOH560 |
| A | HOH574 |
| A | HOH595 |
| A | HOH629 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000269|PubMed:20392080, ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3LTH |
| Chain | Residue | Details |
| A | CYS115 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:22378791, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | LYS22 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00111 |
| Chain | Residue | Details |
| A | ARG91 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20392080, ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3LTH, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | ARG120 | |
| A | ASP305 | |
| A | ILE327 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22378791, ECO:0007744|PDB:3SWQ |
| Chain | Residue | Details |
| A | LYS160 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: 2-(S-cysteinyl)pyruvic acid O-phosphothioketal => ECO:0000269|PubMed:22378791 |
| Chain | Residue | Details |
| A | CYS115 |
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 | 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 |
