MolNFT v1 · #38963 · protein
Bifidobacterium longum bile salt hydrolase
2HEZ: “Bifidobacterium longum bile salt hydrolase”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.69). MolNFT v1 #38963 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HEZ
- Type
- protein
- Length
- 632 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile salt hydrolase
- EC
- 3.5.1.24
- UniProt
- Q9KK62
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bile salt hydrolase (EC 3.5.1.24) | protein | 316 | 20% helix, 33% strand | Q9KK62 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.69 | 0.81 | 32 | empty |
| 2 | 431 | 0.63 | 0.77 | 37 | empty |
| 3 | 269 | 0.52 | 0.75 | 46 | SO4 |
| 4 | 150 | 0.48 | 0.77 | 22 | empty |
| 5 | 159 | 0.43 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 375 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
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 Q9KK62
- Elsewhere: RCSB PDB 2HEZ · PDBe 2HEZ · UniProt Q9KK62
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