MolNFT v1 · #99781 · protein

Crystal structure of a GH1 beta-glucosidase from the fungus humicola insolens in complex with glucose

4MDP: “Crystal structure of a GH1 beta-glucosidase from the fungus humicola insolens in complex with glucose”. X-ray diffraction, 2 ligands (BGC, PO4), 2 pockets (best druggability 0.74). MolNFT v1 #99781 on GenesisL1: 3D structure…

PDB: 4MDP
Type: protein
Length: 477 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase
UniProt: O93784
Ligands: BGC, PO4
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-glucosidase	protein	477	43% helix, 16% strand	O93784

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
GOL · Glycerol · additive · chains A

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

Pockets

2 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	359	0.74	0.84	34	BGC, GOL
2	50	0.31	0.76	16	empty

Compared structures

4MDP · Crystal structure of a GH1 beta-glucosidase from the fungus Humicola insolens in complex… · 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 O93784
Elsewhere: RCSB PDB 4MDP · PDBe 4MDP · UniProt O93784

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