Research workbench
Crystal structure determination of CYS2ALA mutant of bile salt hydrolase from enterococcus feacalis
Analyse Crystal structure determination of CYS2ALA mutant of bile salt hydrolase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GS7
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choloylglycine hydrolase
- EC
- 3.5.1.24
- UniProt
- Q8KUA7
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Choloylglycine hydrolase (EC 3.5.1.24) | protein | 323 | 19% helix, 33% strand | Q8KUA7 |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 282 | 0.77 | 0.89 | 32 | empty |
| 2 | 315 | 0.75 | 0.86 | 34 | empty |
| 3 | 101 | 0.44 | 0.78 | 21 | empty |
| 4 | 78 | 0.44 | 0.81 | 18 | empty |
| 5 | 62 | 0.42 | 0.82 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 3187 Ų buried · 60 hydrogen bonds · protein-protein
Compared structures
- 5GS7 · Crystal structure determination of Cys2Ala mutant of Bile Salt Hydrolase from… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8KUA7
- Elsewhere: RCSB PDB 5GS7 · PDBe 5GS7 · UniProt Q8KUA7
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