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 | Macrophage metalloelastase | polymer | 159 | 17615.7 | 1 | UniProt (P39900) Pfam (PF00413) In PDB | Homo sapiens (Human) | MME,Macrophage elastase,hME,Matrix metalloproteinase-12,MMP-12 |
2 | A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
4 | 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 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
6 | A | R-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGR) | |||
7 | 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 |