Research workbench
Crystal structure of conjugated bile acid hydrolase from clostridium perfringens in complex with reaction products taurine and deoxycholate
Analyse Crystal structure of conjugated bile acid hydrolase from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BJF
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choloylglycine hydrolase
- EC
- 3.5.1.24
- UniProt
- P54965
- Ligands
- DXC, TAU
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Choloylglycine hydrolase (EC 3.5.1.24) | protein | 328 | 20% helix, 34% strand | P54965 |
Ligands and binding sites
- DXC · (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid · ligand · chains A
- TAU · 2-aminoethanesulfonic acid · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.68 | 0.82 | 40 | DXC, TAU |
| 2 | 79 | 0.40 | 0.78 | 20 | empty |
| 3 | 53 | 0.27 | 0.74 | 12 | empty |
Compared structures
- 2BJF · Crystal Structure of Conjugated Bile Acid Hydrolase from Clostridium perfringens in… · the same entry in another collection · chain A against A, TM-score 1.00
- P54965 · AlphaFold monomer V2.0 prediction for conjugated bile acid hydrolase (P54965) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P54965
- Elsewhere: RCSB PDB 2BJF · PDBe 2BJF · UniProt P54965
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