4V0S
Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative
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) | 3-DEHYDROQUINATE DEHYDRATASE | polymer | 146 | 15675.8 | 2 | UniProt (P9WPX6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7) | MYCOBACTERIUM TUBERCULOSIS | 3-DEHYDROQUINASE, TYPE II DHQASE |
| 2 | C, D, H (A, B) | (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid | non-polymer | 370.2 | 3 | Chemie (2HN) | |||
| 3 | E (A) | 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID | non-polymer | 334.2 | 1 | Chemie (7HN) | |||
| 4 | F, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | G (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 150 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 146 (UniProt: P9WPX6)
| PDB | External Database | Details |
|---|---|---|
| Asn 88 | Asp 89 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 31351.5 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1538.8 | |
| All* | Total formula weight | 32890.3 |
