5I4O
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28).
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 | 17614.7 | 4 | UniProt (P39900) Pfam (PF00413) | Homo sapiens (Human) | MME,Macrophage elastase,hME,Matrix metalloproteinase-12,MMP-12 |
| 2 | E, K, Q, W (A, B, C, D) | N-({1-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-N-[([1,1'-biphenyl]-4-yl)sulfonyl]-D-valine | non-polymer | 617.7 | 4 | Chemie (V28) | Homo sapiens (Human) | ||
| 3 | F, G, L, M, R... (A, B, C, D) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | AA, BA, H, I, J... (D, A, B, C) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 5 | CA, DA, EA, FA (A, B, C, D) | water | water | 18.0 | 466 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | initiating methionine |
| Asp 171 | Phe 171 | conflict |
| Gln 219 | Glu 219 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70458.7 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 3474.9 | |
| All* | Total formula weight | 73933.6 |
