5B5O
Crystal structure of the catalytic domain of MMP-13 complexed with N-phenyl-4-((4H-1,2,4-triazol-3-ylsulfanyl)methyl)-1,3-thiazol-2-amine
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 | 172 | 19364.5 | 2 | UniProt (P45452) Pfam (PF00413) | Homo sapiens (Human) | Matrix metalloproteinase-13,MMP-13 |
| 2 | C, D, J, K (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, L, M (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 4 | G, N (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | I, O (A, B) | N-phenyl-4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]-1,3-thiazol-2-amine | non-polymer | 289.4 | 2 | Chemie (WMM) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 555 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38729.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1108.8 | |
| All* | Total formula weight | 39837.7 |
