MolNFT v1 · #99594 · protein

The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from candida albicans complexed with P-nitrophenyl-gentiobioside (product) at 1.6A resolution

4M82: “The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from candida albicans complexed with…”. X-ray diffraction, 2 ligands (NGB, BGC), 3 pockets (best druggability 0.64). MolNFT v1 #99594 on GenesisL1: 3D structure…

PDB: 4M82
Type: protein
Length: 393 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: NGB, BGC
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Exo-1,3-beta-glucanase (EC 3.2.1.58)	protein	393	40% helix, 13% strand	Q5AI63

Ligands and binding sites

NGB · 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside · ligand · chains A
BGC · beta-D-glucopyranose · sugar · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	349	0.64	0.79	42	NGB
2	84	0.39	0.78	25	empty
3	72	0.34	0.75	14	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4M82 · 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

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 Q5AI63
Elsewhere: RCSB PDB 4M82 · PDBe 4M82 · UniProt Q5AI63

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