4H49
Crystal structure of the catalytic domain of MMP-12 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) | Macrophage metalloelastase | polymer | 159 | 17615.7 | 4 | UniProt (P39900) Pfam (PF00413) | Homo sapiens (human) | MME, Macrophage elastase, ME, hME, Matrix metalloproteinase-12, MMP-12 |
| 2 | CA, DA, E, F, O... (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 3 | EA, FA, G, GA, H... (D, A, B, C) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 4 | J, M (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 2 | Chemie (PGO) | |||
| 5 | K (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | BA, HA, L, T (C, D, A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 7 | AA, N (C, B) | 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) | |||
| 8 | U (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 9 | IA, JA, KA, LA (A, B, C, D) | water | water | 18.0 | 274 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | expression tag |
| Asp 171 | Phe 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70462.7 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 3577.2 | |
| All* | Total formula weight | 74039.9 |
