10QV
Crystal Structure of NQO1 Complexed with S-Warfarin
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 196 |
| Details | Region: {"description":"Important for apoenzyme conformational stability","evidences":[{"source":"PubMed","id":"28291250","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 44 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10543876","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10706635","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11735396","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 3 |
| Chain | Residue | Details |
| A | GLY149 | electrostatic stabiliser, hydrogen bond donor |
| A | TYR155 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| A | HIS161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 3 |
| Chain | Residue | Details |
| B | GLY149 | electrostatic stabiliser, hydrogen bond donor |
| B | TYR155 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| B | HIS161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 3 |
| Chain | Residue | Details |
| C | GLY149 | electrostatic stabiliser, hydrogen bond donor |
| C | TYR155 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| C | HIS161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 3 |
| Chain | Residue | Details |
| D | GLY149 | electrostatic stabiliser, hydrogen bond donor |
| D | TYR155 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
| D | HIS161 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay |
