2WUF
Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD | polymer | 291 | 31899.4 | 2 | UniProt (P96851) Pfam (PF00561) UniProt (by SIFTS) (P9WNH5) In PDB | MYCOBACTERIUM TUBERCULOSIS | HSAD, 2-HYDROXY-6-PHENYLHEXA-2\,4-DIENOIC ACID HYDROLASE |
| 2 | A, B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 3 | A | THIOCYANATE ION | non-polymer | 58.1 | 1 | Chemie (SCN) | |||
| 4 | B | (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE | non-polymer | 349.4 | 1 | Chemie (KEM) | |||
| 5 | water | water | 18.0 | 183 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 291 (UniProt: P96851)
| PDB | External Database | Details |
|---|---|---|
| Ala 114 | Ser 114 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 63798.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 591.7 | |
| All* | Total formula weight | 64390.4 |
