3O2X
MMP-13 in complex with selective tetrazole core 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, C, D | Collagenase 3 | polymer | 164 | 18418.6 | 4 | UniProt (P45452) Pfam (PF00413) In PDB | Homo sapiens (human) | Matrix metalloproteinase-13, MMP-13 |
| 2 | D, A, B, C | N-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2H-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide | non-polymer | 628.6 | 4 | Chemie (3O2) | |||
| 3 | D, A, B, C | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | C, D, A, B | CALCIUM ION | non-polymer | 40.1 | 8 | Chemie (CA) | |||
| 5 | C, D, A, B | SULFATE ION | non-polymer | 96.1 | 9 | Chemie (SO4) | |||
| 6 | A, B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 7 | water | water | 18.0 | 682 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1105 - 1267 (UniProt: P45452)
| PDB | External Database | Details |
|---|---|---|
| Ala 1104 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 73674.4 | |
| Non-Polymers* | Number of molecules | 31 |
| Total formula weight | 4699.6 | |
| All* | Total formula weight | 78374.0 |
