4H3X
Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 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, B (A, B) | Matrix metalloproteinase-9 | polymer | 164 | 18338.3 | 2 | UniProt (P14780) Pfam (PF00413) | Homo sapiens (Human) | MMP-9,92 kDa gelatinase,92 kDa type IV collagenase,Gelatinase B,GELB |
| 2 | C, D, P, Q (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, G, R, S... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | H, U (A, B) | N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid | non-polymer | 364.4 | 2 | Chemie (10B) | |||
| 5 | I, J, K, M, N... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 6 | L (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGO) | |||
| 7 | W, X (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 8 | Y, Z (A, B) | water | water | 18.0 | 380 | Chemie (HOH) |
Sequence modifications
A, B: 107 - 216 (UniProt: P14780)
A, B: 217 - 269 (UniProt: P14780)
| PDB | External Database | Details |
|---|---|---|
| Gly 106 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 36676.6 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2163.9 | |
| All* | Total formula weight | 38840.6 |
