3WV1
Crystal structure of the catalytic domain of MMP-13 complexed with 4-(2-((6-fluoro-2-((3-methoxybenzyl)carbamoyl)-4-oxo-3,4-dihydroquinazolin-5-yl)oxy)ethyl)benzoic acid
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 | 171 | 19235.4 | 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, O (A, B) | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
| 6 | I, P (A, B) | 4-[2-({6-fluoro-2-[(3-methoxybenzyl)carbamoyl]-4-oxo-3,4-dihydroquinazolin-5-yl}oxy)ethyl]benzoic acid | non-polymer | 491.5 | 2 | Chemie (WHH) | |||
| 7 | Q, R (A, B) | water | water | 18.0 | 246 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38470.8 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1542.9 | |
| All* | Total formula weight | 40013.7 |
