UniProt Q9KK62
Conjugated bile acid hydrolase (Q9KK62)
Conjugated bile acid hydrolase (UniProt Q9KK62), EC 3.5.1.-, 3.5.1.24: 6 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 28 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9KK62
- Protein
- Conjugated bile acid hydrolase
- EC
- 3.5.1.-, 3.5.1.24, 3.5.1.74
- Experimental structures
- 6
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 28 · 2 records with a druggable one
Structures
7 records of Q9KK62 in the MolNFT archive: 6 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 2HEZ | Bifidobacterium longum bile salt hydrolase | x-ray diffraction | A, B | — | — |
| 2HEZ | Bifidobacterium longum bile salt hydrolase | x-ray diffraction | A, B | — | — |
| 2HF0 | Bifidobacterium longum bile salt hydrolase | x-ray diffraction | A, B | — | — |
| 2HF0 | Bifidobacterium longum bile salt hydrolase | x-ray diffraction | A, B | — | — |
| 8ESI | Bile Salt Hydrolase from B. longum with covalent inhibitor bound | x-ray diffraction | A, B, C, D, E, F, G, H | WSR | 20 (best 0.84) |
| 8ETE | Bile Salt Hydrolase from B. longum with covalent inhibitor bound | x-ray diffraction | A, B | WU5 | 8 (best 0.80) |
| Q9KK62 | AlphaFold monomer V2.0 prediction for conjugated bile acid hydrolase (Q9KK62) | predicted | A | — | — |
Ligands
- WSR · (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) · in 1 record
- WU5 · (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) · in 1 record
Experiment against prediction
- 8ETE chain A against the predicted model Q9KK62: TM-score 0.99, RMSD 0.62 Å
- 2HF0 chain B against the predicted model Q9KK62: TM-score 0.99, RMSD 0.67 Å
- 2HF0 chain B against the predicted model Q9KK62: TM-score 0.99, RMSD 0.67 Å
- 8ESI chain C against the predicted model Q9KK62: TM-score 0.99, RMSD 0.68 Å
- 8ESI chain B against the predicted model Q9KK62: TM-score 0.99, RMSD 0.71 Å
- 8ESI chain A against the predicted model Q9KK62: TM-score 0.99, RMSD 0.71 Å
- 8ESI chain E against the predicted model Q9KK62: TM-score 0.99, RMSD 0.71 Å
- 2HEZ chain A against the predicted model Q9KK62: TM-score 0.99, RMSD 0.72 Å
- 2HEZ chain A against the predicted model Q9KK62: TM-score 0.99, RMSD 0.72 Å
- 2HEZ chain B against the predicted model Q9KK62: TM-score 0.99, RMSD 0.72 Å
Elsewhere
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