MolNFT v1 · #120060 · protein

The E171Q mutant structure of BGL6

5GNX · Beta-glucosidase: “The E171Q mutant structure of BGL6”. X-ray diffraction, 1 ligand (BGC), 8 pockets (best druggability 0.69). MolNFT v1 #120060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GNX
Type: protein
Length: 900 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase
EC: 3.2.1.21
Ligands: BGC
Pockets: 8 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-glucosidase (EC 3.2.1.21)	protein	451	43% helix, 15% strand	—
B	Beta-glucosidase (EC 3.2.1.21)	protein	449	44% helix, 15% strand	—

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
PPI · Propanoic acid · additive · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	526	0.69	0.79	50	BGC
2	502	0.69	0.79	52	BGC
3	109	0.54	0.84	30	empty
4	147	0.45	0.77	19	PPI
5	147	0.44	0.76	22	PPI

Interfaces

1 interface between chains.

A–B · 1039 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 glycan (glycosylation).

Compared structures

5GNX · The E171Q mutant structure of Bgl6 · 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
Elsewhere: RCSB PDB 5GNX · PDBe 5GNX

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