MolNFT v1 · #1914 · protein

Beta-glucosidase a from bacillus polymyxa

1BGA: “Beta-glucosidase a from bacillus polymyxa”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #1914 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BGA
Type: protein
Length: 1,788 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase a
EC: 3.2.1.21
UniProt: P22073
Pockets: 8 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Beta-glucosidase a (EC 3.2.1.21)	protein	447	45% helix, 18% strand	P22073

Pockets

8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	567	0.71	0.79	45	empty
2	524	0.71	0.80	43	empty
3	547	0.69	0.79	43	empty
4	591	0.69	0.78	47	empty
5	489	0.69	0.79	43	empty

Interfaces

4 interfaces between chains.

C–D · 468 Å² buried · 7 hydrogen bonds · protein-protein
B–C · 467 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 459 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 459 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

1BGA · Beta-glucosidase a from bacillus polymyxa · the same entry in another collection · chain A against A, TM-score 1.00
P22073 · AlphaFold monomer V2.0 prediction for beta-glucosidase a (P22073) · a predicted model of the same protein · 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 P22073
Elsewhere: RCSB PDB 1BGA · PDBe 1BGA · UniProt P22073

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