8RIJ
Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Macrophage metalloelastase | polymer | 158 | 17484.5 | 1 | UniProt (P39900) Pfam (PF00413) | Homo sapiens (human) | MME,Macrophage elastase,hME,Matrix metalloproteinase-12,MMP-12 |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, E, F (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | G (A) | ~{N}-[[(4~{R})-4-cyclopropyl-2,5-bis(oxidanylidene)imidazolidin-4-yl]methyl]-2-(3-fluorophenyl)-1,2,3-triazole-4-carboxamide | non-polymer | 358.3 | 1 | Chemie (A1H07) | |||
| 5 | H (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | I (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | J (A) | water | water | 18.0 | 126 | Chemie (HOH) |
Sequence modifications
A: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Asp 171 | Phe 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17484.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 751.0 | |
| All* | Total formula weight | 18235.4 |
