5B5P
Crystal structure of the catalytic domain of MMP-13 complexed with 4-oxo-N-(3-(2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy)benzyl)-3,4-dihydroquinazoline-2-carboxamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Collagenase 3 | polymer | 172 | 19364.5 | 2 | UniProt (P45452) Pfam (PF00413) In PDB | Homo sapiens (Human) | Matrix metalloproteinase-13,MMP-13 |
| 2 | A, B | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | A, B | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | A, B | 4-oxo-N-{3-[2-(1H-1,2,4-triazol-3-ylsulfanyl)ethoxy]benzyl}-3,4-dihydroquinazoline-2-carboxamide | non-polymer | 422.5 | 2 | Chemie (WNN) | |||
| 5 | water | water | 18.0 | 398 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38729.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1347.0 | |
| All* | Total formula weight | 40076.0 |
