7ALV
Crystal Structure of NLRP3 NACHT domain in complex with a potent inhibitor
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue RM5 A 701 |
| Chain | Residue |
| A | ALA227 |
| A | PHE575 |
| A | ARG578 |
| A | LEU628 |
| A | TYR632 |
| A | MET661 |
| A | ALA228 |
| A | ARG351 |
| A | PRO352 |
| A | MET408 |
| A | PHE410 |
| A | ILE411 |
| A | THR439 |
| A | ILE574 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | binding site for residue ADP A 702 |
| Chain | Residue |
| A | ARG167 |
| A | TYR168 |
| A | THR169 |
| A | LEU171 |
| A | GLY229 |
| A | GLY231 |
| A | LYS232 |
| A | THR233 |
| A | ILE234 |
| A | TYR381 |
| A | PRO412 |
| A | TRP416 |
| A | HIS522 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Motif: {"description":"KFERQ-like motif 1","evidences":[{"source":"PubMed","id":"36586411","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Motif: {"description":"KFERQ-like motif 2","evidences":[{"source":"PubMed","id":"36586411","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"35254907","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"36142182","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"36442502","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"7VTP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7ZGU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8EJ4","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00136","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17483456","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34687713","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35114687","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35254907","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"36142182","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"36442502","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"7ALV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7PZC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7VTP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7ZGU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"8EJ4","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"34687713","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35114687","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35254907","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"36142182","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"7ALV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7PZC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7VTP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"7ZGU","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphotyrosine; by BTK","evidences":[{"source":"PubMed","id":"34554188","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"35114687","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine; by LATS1 and LATS2","evidences":[{"source":"PubMed","id":"39173637","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q8R4B8","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"28943315","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 3 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"37575012","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
