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Crystal structure of the catalytic domain of MMP-13 complexed with a potent pyrimidinetrione 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 | 168 | 18909.1 | 2 | UniProt (P45452) Pfam (PF00413) | Homo sapiens (human) | Matrix metalloproteinase-13, MMP-13 |
| 2 | C, D, I, J (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, K (A, B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 4 | F, G, L (A, B) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | H, M (A, B) | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE | non-polymer | 402.4 | 2 | Chemie (PFD) | |||
| 6 | N, O (A, B) | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37818.2 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1434.7 | |
| All* | Total formula weight | 39252.9 |
