2Y6D
The Discovery of MMP7 Inhibitors Exploiting a Novel Selectivity Trigger
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | MATRILYSIN | polymer | 174 | 19214.5 | 1 | UniProt (P09237) Pfam (PF00413) | HOMO SAPIENS (HUMAN) | MATRIN, MATRIX METALLOPROTEINASE-7, MMP-7, PUMP-1 PROTEASE, UTERINE METALLOPROTEINASE, MMP7 |
| 2 | B, C (A) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 3 | D, E (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | F, G (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | H (A) | N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE | non-polymer | 513.4 | 1 | Chemie (TQJ) | |||
| 6 | I (A) | water | water | 18.0 | 104 | Chemie (HOH) |
Sequence modifications
A: 100 - 272 (UniProt: P09237)
| PDB | External Database | Details |
|---|---|---|
| Gly 99 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19214.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 916.5 | |
| All* | Total formula weight | 20131.0 |
