4A7B
MMP13 IN COMPLEX WITH A NOVEL SELECTIVE NON ZINC BINDING INHIBITOR CMPD22
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 | 169 | 19024.2 | 2 | UniProt (P45452) Pfam (PF00413) | HOMO SAPIENS (HUMAN) | MATRIX METALLOPROTEINASE-13, MMP-13 |
| 2 | C (A) | N-[(3S)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide | non-polymer | 494.6 | 1 | Chemie (3W5) | |||
| 3 | D, L (A, B) | ACETOHYDROXAMIC ACID | non-polymer | 75.1 | 2 | Chemie (HAE) | |||
| 4 | E, M (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | F, H, N, O (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 6 | G, I, P, Q (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 7 | J, R (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 8 | K (B) | N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide | non-polymer | 494.6 | 1 | Chemie (3W4) | |||
| 9 | S, T (A, B) | water | water | 18.0 | 201 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38048.3 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1791.5 | |
| All* | Total formula weight | 39839.8 |
