4H1Q
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin 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 | Matrix metalloproteinase-9 | polymer | 160 | 17932.9 | 2 | UniProt (P14780) Pfam (PF00413) In PDB | Homo sapiens (human) | MMP-9, 92 kDa gelatinase, 92 kDa type IV collagenase, Gelatinase B, GELB, 67 kDa matrix metalloproteinase-9, 82 kDa matrix metalloproteinase-9 |
2 | A, B | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
3 | A, B | CALCIUM ION | non-polymer | 40.1 | 7 | Chemie (CA) | |||
4 | A, B | N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide | non-polymer | 1115.3 | 2 | Chemie (0XX) | |||
5 | water | water | 18.0 | 326 | Chemie (HOH) |
Sequence modifications
A, B: 110 - 214 (UniProt: P14780)
A, B: 216 - 269 (UniProt: P14780)
A, B: 216 - 269 (UniProt: P14780)
PDB | External Database | Details |
---|---|---|
Gln 227 | Glu 402 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 35865.7 | |
Non-Polymers* | Number of molecules | 13 |
Total formula weight | 2772.7 | |
All* | Total formula weight | 38638.5 |