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Bacteroides ovatus xyloglucan pul GH3B with bound glucose

Analyse Bacteroides ovatus xyloglucan pul GH3B with bound glucose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5JP0
Type: protein
Length: 1,490 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase BOGH3B
EC: 3.2.1.21
UniProt: A7LXU3
Ligands: BGC, MG
Pockets: 14 · best druggability 0.90

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-glucosidase BOGH3B (EC 3.2.1.21)	protein	745	35% helix, 20% strand	A7LXU3

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	887	0.90	0.93	109	empty
2	81	0.78	0.99	20	empty
3	78	0.76	0.99	20	empty
4	812	0.71	0.76	97	BGC
5	325	0.66	0.81	34	empty

Interfaces

1 interface between chains.

A–B · 1987 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

5JP0 · Bacteroides ovatus Xyloglucan PUL GH3B with bound glucose · the same entry in another collection · chain A against A, TM-score 1.00
A7LXU3 · AlphaFold monomer V2.0 prediction for beta-glucosidase BOGH3B (A7LXU3) · a predicted model of the same protein · chain B 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 A7LXU3
Elsewhere: RCSB PDB 5JP0 · PDBe 5JP0 · UniProt A7LXU3

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