4H84
Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based 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 (A, B) | Macrophage metalloelastase | polymer | 159 | 17615.7 | 2 | UniProt (P39900) Pfam (PF00413) | Homo sapiens (human) | MME, Macrophage elastase, ME, hME, Matrix metalloproteinase-12, MMP-12 |
| 2 | C, D, V, W (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | E, F, G, X, Y... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 4 | H, U (A, B) | N-[2-(benzoylamino)ethyl]-N-(biphenyl-4-ylsulfonyl)-D-valine | non-polymer | 480.6 | 2 | Chemie (Y38) | |||
| 5 | AA, BA, FA, I, K... (B, A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 7 | Chemie (PGO) | |||
| 6 | J (A) | R-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGR) | |||
| 7 | CA, DA, EA, L, Q... (B, A) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 8 | N, O, T (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 9 | GA, HA (A, B) | water | water | 18.0 | 273 | Chemie (HOH) |
Sequence modifications
A, B: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | initiating methionine |
| Asp 171 | Phe 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 35231.3 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 3035.0 | |
| All* | Total formula weight | 38266.4 |
