4WKE
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 501 |
| Chain | Residue |
| A | HIS361 |
| A | HIS365 |
| A | HIS371 |
| A | 3PU508 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 502 |
| Chain | Residue |
| A | HOH672 |
| A | GLU221 |
| A | ASP304 |
| A | ASP311 |
| A | CYS423 |
| A | ASP426 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 503 |
| Chain | Residue |
| A | GLU221 |
| A | ASP304 |
| A | ASP426 |
| A | HOH681 |
| A | HOH690 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 504 |
| Chain | Residue |
| A | ASP320 |
| A | LEU321 |
| A | CYS327 |
| A | THR329 |
| A | GLU349 |
| A | HOH674 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 505 |
| Chain | Residue |
| A | GLN354 |
| A | ALA396 |
| A | HIS397 |
| A | VAL398 |
| A | HOH606 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 506 |
| Chain | Residue |
| A | MET332 |
| A | ALA333 |
| A | GLU362 |
| A | HIS365 |
| A | 3PU508 |
| A | HOH725 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | ASP328 |
| A | VAL394 |
| A | MET395 |
| A | 3PU508 |
| A | HOH732 |
| A | HOH758 |
| A | HOH763 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | binding site for residue 3PU A 508 |
| Chain | Residue |
| A | THR329 |
| A | LEU330 |
| A | GLY331 |
| A | MET332 |
| A | HIS361 |
| A | GLU362 |
| A | HIS365 |
| A | HIS371 |
| A | VAL390 |
| A | ALA392 |
| A | PRO393 |
| A | VAL394 |
| A | MET395 |
| A | ZN501 |
| A | EDO506 |
| A | EDO507 |
Functional Information from PROSITE/UniProt
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TAAHELGHVF |
| Chain | Residue | Details |
| A | THR358-PHE367 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00276","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18042673","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"18042673","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
