4H2E
Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains
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 |
| 2 | C, D, R, S (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, T, U, V (A, B) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) | |||
| 4 | G, H, I, J, K... (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 9 | Chemie (PEG) | |||
| 5 | AA, M, N, O (B, A) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 6 | BA, P, Q (B, A) | BICINE | non-polymer | 163.2 | 3 | Chemie (BCN) | |||
| 7 | W (B) | N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide | non-polymer | 1115.3 | 1 | Chemie (0Y3) | |||
| 8 | CA, DA (A, B) | water | water | 18.0 | 148 | 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 | 26 |
| Total formula weight | 3258.1 | |
| All* | Total formula weight | 39934.7 |
