4XCT
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Matrix metalloproteinase-9,Matrix metalloproteinase-9 | polymer | 157 | 17571.5 | 1 | UniProt (P14780) Pfam (PF00413) | Homo sapiens (Human) | MMP-9,92 kDa gelatinase,92 kDa type IV collagenase,Gelatinase B,GELB |
| 2 | B (A) | (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide | non-polymer | 404.5 | 1 | Chemie (N73) | |||
| 3 | C, D (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F, G (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | H, I (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 6 | J, K, L, M (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 7 | N (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | O, P (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 2 | Chemie (PGO) | |||
| 9 | Q (A) | (2S,3S)-butane-2,3-diol | non-polymer | 90.1 | 1 | Chemie (BUD) | |||
| 10 | R (A) | water | water | 18.0 | 230 | Chemie (HOH) |
Sequence modifications
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17571.5 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1394.5 | |
| All* | Total formula weight | 18966.0 |
