4N3V
Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.89 A resolution with product added
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) | Bile acid 7-alpha dehydratase, BaiE | polymer | 187 | 21958.8 | 2 | UniProt (Q9RB47) Pfam (PF13577) | Clostridium hiranonis | Bile acid 7a-dehydratase |
| 2 | C, J (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, K (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | E, L (A, B) | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
| 5 | F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | G (A) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 7 | H, I (A, B) | UNKNOWN LIGAND | non-polymer | 2 | Chemie (UNL) | ||||
| 8 | M, N (A, B) | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 168 (UniProt: Q9RB47)
| PDB | External Database | Details |
|---|---|---|
| Met -18 | - | expression tag |
| Gly -17 | - | expression tag |
| Ser -16 | - | expression tag |
| Asp -15 | - | expression tag |
| Lys -14 | - | expression tag |
| Ile -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| His -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43917.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 861.4 | |
| All* | Total formula weight | 44778.9 |
