2OW9
Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Collagenase 3 | polymer | 170 | 19069.3 | 2 | UniProt (P45452) Pfam (PF00413) | Homo sapiens (human) | Matrix metalloproteinase-13, MMP-13 |
| 2 | C, D, K, L (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, G, M, N... (A, B) | CALCIUM ION | non-polymer | 40.1 | 7 | Chemie (CA) | |||
| 4 | H (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 5 | I, Q (A, B) | BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE | non-polymer | 392.4 | 2 | Chemie (SP6) | |||
| 6 | J, R (A, B) | ACETOHYDROXAMIC ACID | non-polymer | 75.1 | 2 | Chemie (HAE) | |||
| 7 | S, T (A, B) | water | water | 18.0 | 418 | Chemie (HOH) |
Sequence modifications
A, B: 83 - 249 (UniProt: P45452)
| PDB | External Database | Details |
|---|---|---|
| Met 80 | - | expression tag |
| Ala 81 | - | expression tag |
| Ser 82 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38138.6 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1573.2 | |
| All* | Total formula weight | 39711.9 |
