4HMA
Crystal structure of an MMP twin carboxylate based inhibitor LC20 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 | 160 | 17932.9 | 2 | 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 | C, D, T, U (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, G, V, W... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | H (A) | N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide | non-polymer | 883.0 | 1 | Chemie (0ZD) | |||
| 5 | AA, I, J, K, Z (B, A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | BA, CA, DA, L, M... (B, A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 6 | Chemie (PGO) | |||
| 7 | EA, FA, O, P, Q... (B, A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 7 | Chemie (PEG) | |||
| 8 | Y (B) | D-MALATE | non-polymer | 134.1 | 1 | Chemie (MLT) | |||
| 9 | GA, HA (A, B) | water | water | 18.0 | 345 | 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 | 30 |
| Total formula weight | 3179.1 | |
| All* | Total formula weight | 39044.8 |
