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 | 1 |
Details | BINDING: BINDING => ECO:0000305|PubMed:35254907, ECO:0000305|PubMed:36142182, ECO:0000305|PubMed:36442502, ECO:0007744|PDB:7VTP, ECO:0007744|PDB:7ZGU, ECO:0007744|PDB:8EJ4 |
Chain | Residue | Details |
A | THR169 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00136, ECO:0000269|PubMed:17483456, ECO:0000305|PubMed:34687713, ECO:0000305|PubMed:35114687, ECO:0000305|PubMed:35254907, ECO:0000305|PubMed:36142182, ECO:0000305|PubMed:36442502, ECO:0007744|PDB:7ALV, ECO:0007744|PDB:7PZC, ECO:0007744|PDB:7VTP, ECO:0007744|PDB:7ZGU, ECO:0007744|PDB:8EJ4 |
Chain | Residue | Details |
A | GLY226 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000305|PubMed:34687713, ECO:0000305|PubMed:35114687, ECO:0000305|PubMed:35254907, ECO:0000305|PubMed:36142182, ECO:0007744|PDB:7ALV, ECO:0007744|PDB:7PZC, ECO:0007744|PDB:7VTP, ECO:0007744|PDB:7ZGU |
Chain | Residue | Details |
A | HIS522 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | MOD_RES: Phosphotyrosine; by BTK => ECO:0000269|PubMed:34554188 |
Chain | Residue | Details |
A | TYR136 | |
A | TYR140 | |
A | TYR143 | |
A | TYR168 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q8R4B8 |
Chain | Residue | Details |
A | SER161 | |
A | SER295 |
site_id | SWS_FT_FI6 |
Number of Residues | 2 |
Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:28943315 |
Chain | Residue | Details |
A | SER163 | |
A | SER334 |
site_id | SWS_FT_FI7 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine; by MAPK8 => ECO:0000269|PubMed:35114687 |
Chain | Residue | Details |
A | SER198 |
site_id | SWS_FT_FI8 |
Number of Residues | 1 |
Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:35114687 |
Chain | Residue | Details |
A | SER201 |