4E7E
E. cloacae C115D MurA in complex with UDP-glucose
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 | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 501 |
| Chain | Residue |
| A | ARG252 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 502 |
| Chain | Residue |
| A | TRP95 |
| A | GLY164 |
| A | UPG503 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE UPG A 503 |
| Chain | Residue |
| A | LEU124 |
| A | HIS125 |
| A | LYS160 |
| A | SER162 |
| A | VAL163 |
| A | GLY164 |
| A | PHE328 |
| A | ACT502 |
| A | ARG91 |
| A | ARG120 |
| A | PRO121 |
| A | VAL122 |
| A | ASP123 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO B 501 |
| Chain | Residue |
| B | VAL161 |
| B | ALA186 |
| B | ARG187 |
| B | GLU188 |
| B | HIS299 |
| B | HOH656 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 502 |
| Chain | Residue |
| B | GLU40 |
| B | GLN42 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO C 501 |
| Chain | Residue |
| B | GLU268 |
| C | SER206 |
| C | ARG212 |
| C | ILE213 |
| C | THR214 |
| C | HOH653 |
| C | HOH680 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 502 |
| Chain | Residue |
| C | PRO121 |
| C | LEU124 |
| C | LYS160 |
| C | SER162 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 501 |
| Chain | Residue |
| D | ASN43 |
| D | ARG227 |
| D | VAL228 |
| D | PRO230 |
| D | ASN253 |
| D | HOH762 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO D 502 |
| Chain | Residue |
| B | GLU139 |
| D | GLU135 |
| D | LYS137 |
| D | SER146 |
| D | HOH714 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 503 |
| Chain | Residue |
| D | ARG91 |
| D | ALA92 |
| D | TRP95 |
| D | GLY164 |
| D | UPG508 |
| D | HOH649 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 504 |
| Chain | Residue |
| B | LYS63 |
| D | HIS344 |
| D | GLU346 |
| D | HIS355 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO D 505 |
| Chain | Residue |
| D | ARG5 |
| D | TYR84 |
| D | LYS417 |
| D | EDO506 |
| site_id | BC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO D 506 |
| Chain | Residue |
| D | SER81 |
| D | ALA82 |
| D | GLN108 |
| D | VAL109 |
| D | SER110 |
| D | TYR142 |
| D | EDO505 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT D 507 |
| Chain | Residue |
| D | GLU188 |
| D | UPG508 |
| D | HOH701 |
| site_id | BC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE UPG D 508 |
| Chain | Residue |
| D | ARG91 |
| D | ARG120 |
| D | PRO121 |
| D | VAL122 |
| D | ASP123 |
| D | LEU124 |
| D | HIS125 |
| D | SER162 |
| D | VAL163 |
| D | GLY164 |
| D | EDO503 |
| D | ACT507 |
| D | HOH649 |
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 | ASP115 | |
| B | ASP115 | |
| C | ASP115 | |
| D | ASP115 |
| 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 | ASP115 | |
| B | ASP115 | |
| C | ASP115 | |
| D | ASP115 |
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 | LEU124 | electrostatic stabiliser, proton acceptor, proton donor |
| A | GLN309 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | ARG401 | 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 | ALA119 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| B | LEU124 | electrostatic stabiliser, proton acceptor, proton donor |
| B | GLN309 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | ARG401 | 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 | ALA119 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| C | LEU124 | electrostatic stabiliser, proton acceptor, proton donor |
| C | GLN309 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | ARG401 | 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 | ALA119 | activator, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor, proton relay |
| D | LEU124 | electrostatic stabiliser, proton acceptor, proton donor |
| D | GLN309 | activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | ARG401 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
