2XB8
Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 3-DEHYDROQUINATE DEHYDRATASE | polymer | 146 | 15676.7 | 1 | UniProt (P0A4Z6) Pfam (PF01220) UniProt (by SIFTS) (P9WPX7) | MYCOBACTERIUM TUBERCULOSIS | TYPE II DHQASE, 3-DEHYDROQUINASE |
| 2 | B (A) | (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID | non-polymer | 310.3 | 1 | Chemie (XNW) | |||
| 3 | C, D, E, F, G... (A) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 4 | J (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 5 | K (A) | water | water | 18.0 | 50 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15676.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1104.9 | |
| All* | Total formula weight | 16781.6 |
