4RLU
Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with 2',4,4'-trihydroxychalcone
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | (3R)-hydroxyacyl-ACP dehydratase subunit HadA | polymer | 158 | 17465.4 | 1 | UniProt (I6Y8B9) Pfam (PF13452) UniProt (by SIFTS) (P9WFK1) | Mycobacterium tuberculosis H37Rv | Rv0635 |
| 2 | B (B) | (3R)-hydroxyacyl-ACP dehydratase subunit HadB | polymer | 147 | 15361.4 | 1 | UniProt (I6WYY7) Pfam (PF01575) | Mycobacterium tuberculosis H37Rv | Rv0636 |
| 3 | C (A) | 2',4,4'-TRIHYDROXYCHALCONE | non-polymer | 256.3 | 1 | Chemie (HCC) | |||
| 4 | D, E (A) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 5 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 145 | Chemie (HOH) |
Sequence modifications
A: 1 - 158 (UniProt: I6Y8B9)
B: 1 - 142 (UniProt: I6WYY7)
| PDB | External Database | Details |
|---|---|---|
| Val 1 | Met 1 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 32826.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 648.7 | |
| All* | Total formula weight | 33475.5 |
