5I0L
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27).
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,hME,Matrix metalloproteinase-12,MMP-12 |
| 2 | C, L (A, B) | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid | non-polymer | 762.8 | 2 | Chemie (H27) | Homo sapiens | ||
| 3 | D, E, M, N (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 4 | F, G, H, O, P... (A, B) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) | |||
| 5 | I (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 1 | Chemie (PGO) | |||
| 6 | J, R, S (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 7 | K (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | T (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 9 | U, V (A, B) | water | water | 18.0 | 303 | 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 | 18 |
| Total formula weight | 2474.3 | |
| All* | Total formula weight | 37705.7 |
