5I43
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32).
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, F, IA, JA, V... (A, C, B, D) | ZINC ION | non-polymer | 65.4 | 8 | Chemie (ZN) | |||
| 3 | G, H, I, KA, LA... (A, C, B, D) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 4 | HA, J, U, UA (C, A, B, D) | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name) | non-polymer | 801.9 | 4 | Chemie (67M) | Homo sapiens (Human) | ||
| 5 | AA, AB, BA, BB, CA... (B, D, A, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 23 | Chemie (EDO) | |||
| 6 | FA, PA (B, C) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 7 | GA, GB, QA, RA, SA... (B, D, C) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 6 | Chemie (PGO) | |||
| 8 | HB, IB, JB, KB (A, B, C, D) | water | water | 18.0 | 595 | 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 | 55 |
| Total formula weight | 6252.0 | |
| All* | Total formula weight | 76710.8 |
