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)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | A disintegrin and metalloproteinase with thrombospondin motifs 4 | polymer | 235 | 25484.9 | 1 | UniProt (O75173) Pfam (PF01421) | Homo sapiens (Human) | ADAMTS-4,ADMP-1,Aggrecanase-1 |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C, D, E (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | F, G, H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | I (A) | 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide | non-polymer | 390.8 | 1 | Chemie (3PU) | |||
| 6 | J (A) | water | water | 18.0 | 164 | Chemie (HOH) |
Sequence modifications
A: 213 - 439 (UniProt: O75173)
| PDB | External Database | Details |
|---|---|---|
| Asp 440 | - | expression tag |
| Val 441 | - | expression tag |
| His 442 | - | expression tag |
| His 443 | - | expression tag |
| His 444 | - | expression tag |
| His 445 | - | expression tag |
| His 446 | - | expression tag |
| His 447 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 25484.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 762.6 | |
| All* | Total formula weight | 26247.5 |
