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The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from candida albicans complexed with 1-fluoro-alpha-D-glucopyranoside (donor) and P-nitrophenyl beta-D-glucopyranoside (acceptor) at 1.86A resolution

Analyse The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4M81
Type: protein
Length: 394 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Exo-1,3-beta-glucanase
EC: 3.2.1.58
UniProt: Q5AI63
Ligands: GLF, PNW
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Exo-1,3-beta-glucanase (EC 3.2.1.58)	protein	394	39% helix, 12% strand	Q5AI63

Ligands and binding sites

GLF · alpha-D-glucopyranosyl fluoride · ligand · chains A
PNW · 4-nitrophenyl beta-D-glucopyranoside · ligand · chains A
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	341	0.66	0.80	41	GLF, PNW

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4M81 · The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q5AI63
Elsewhere: RCSB PDB 4M81 · PDBe 4M81 · UniProt Q5AI63

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