5I2Z
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
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, L, R, Y (A, B, C, D) | N-[([1,1'-biphenyl]-4-yl)sulfonyl]-N-({1-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1H-1,2,3-triazol-4-yl}methyl)-D-valine | non-polymer | 743.8 | 4 | Chemie (V24) | Homo sapiens (Human) | ||
| 3 | AA, F, G, M, N... (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 4 | BA, CA, DA, H, I... (D, A, B, C) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 5 | FA, K (D, A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 2 | Chemie (PGO) | |||
| 6 | X (C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 7 | EA (D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | GA, HA, IA, JA (A, B, C, D) | water | water | 18.0 | 483 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | initiating methionine |
| Asp 171 | Phe 171 | engineered mutation |
| Gln 219 | Glu 219 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70458.7 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 4271.7 | |
| All* | Total formula weight | 74730.5 |
