7OVY
Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain
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 | 159 | 17615.7 | 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}1,~{N}3-bis[4-[[(4~{R})-4-[[4-[[3,5-bis(bromanyl)phenyl]methoxy]phenyl]sulfonylamino]-5-(oxidanylamino)-5-oxidanylidene-pentyl]amino]-4-oxidanylidene-butyl]benzene-1,3-dicarboxamide | non-polymer | 1402.8 | 1 | Chemie (2IF) | |||
| 5 | H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | I (A) | R-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGR) | |||
| 7 | J (A) | water | water | 18.0 | 257 | Chemie (HOH) |
Sequence modifications
A: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | initiating methionine |
| Asp 171 | Phe 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17615.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1792.0 | |
| All* | Total formula weight | 19407.7 |
