4H82
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, C, D (A, B, C, D) | Matrix metalloproteinase-9 | polymer | 160 | 17932.9 | 4 | UniProt (P14780) Pfam (PF00413) | 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 | DA, E, F, FA, K... (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 3 | G, GA, H, HA, I... (A, D, B, C) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 4 | EA, J (D, A) | N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name) | non-polymer | 913.1 | 2 | Chemie (L29) | |||
| 5 | BA, KA, U, V, X... (C, D) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 6 | W (C) | PROPANOIC ACID | non-polymer | 74.1 | 1 | Chemie (PPI) | |||
| 7 | AA (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | CA, JA, LA (D) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 3 | Chemie (PGO) | |||
| 9 | MA, NA, OA, PA (A, B, C, D) | water | water | 18.0 | 704 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 110 - 215 (UniProt: P14780)
A, B, C, D: 216 - 269 (UniProt: P14780)
A, B, C, D: 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 | 4 |
| Total formula weight | 71731.5 | |
| Non-Polymers* | Number of molecules | 34 |
| Total formula weight | 3967.6 | |
| All* | Total formula weight | 75699.1 |
