MolNFT v1 · #121073 · protein

Bile salt hydrolase from lactobacillus salivarius

5HKE: “Bile salt hydrolase from lactobacillus salivarius”. X-ray diffraction, 1 ligand (PO4), 9 pockets (best druggability 0.75). MolNFT v1 #121073 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HKE
Type: protein
Length: 634 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: J7H3P9
Ligands: PO4
Pockets: 9 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bile salt hydrolase (EC 3.5.1.24)	protein	317	19% helix, 34% strand	J7H3P9

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.75	0.96	41	empty
2	347	0.73	0.84	44	empty
3	469	0.72	0.82	49	empty
4	60	0.68	0.96	30	empty
5	66	0.36	0.78	13	empty

Interfaces

1 interface between chains.

A–B · 2761 Å² buried · 46 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

5HKE · bile salt hydrolase from Lactobacillus salivarius · 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 J7H3P9
Elsewhere: RCSB PDB 5HKE · PDBe 5HKE · UniProt J7H3P9

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