4IS3
Crystal structure of a 3alpha-hydroxysteroid dehydrogenase (BaiA2) associated with secondary bile acid synthesis from Clostridium scindens VPI12708 in complex with a putative NAD(+)-OH- adduct at 2.0 A resolution
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Bile acid 3-alpha hydroxysteroid dehydrogenase | polymer | 268 | 29344.9 | 4 | UniProt (P19337) Pfam (PF00106) In PDB | Clostridium scindens | |
2 | A, B, C, D | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
3 | A, B, C, D | UNKNOWN LIGAND | non-polymer | 4 | Chemie (UNL) | ||||
4 | A, B | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
5 | water | water | 18.0 | 751 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 249 (UniProt: P19337)
PDB | External Database | Details |
---|---|---|
Mse -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 | 4 |
Total formula weight | 117379.5 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 2771.8 | |
All* | Total formula weight | 120151.3 |