MolNFT v1 · #109717 · protein

Structure of dextran glucosidase

4XB3 · Glucan 1,6-alpha-glucosidase: “Structure of dextran glucosidase”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.63). MolNFT v1 #109717 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XB3
Type: protein
Length: 536 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glucan 1,6-alpha-glucosidase
EC: 3.2.1.70
UniProt: Q99040
Ligands: CA
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glucan 1,6-alpha-glucosidase (EC 3.2.1.70)	protein	536	37% helix, 18% strand	Q99040

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A
P6G · Hexaethylene glycol · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	354	0.63	0.78	43	empty
2	140	0.58	0.83	24	empty
3	63	0.32	0.76	16	empty

Compared structures

4XB3 · Structure of dextran glucosidase · the same entry in another collection · chain A against A, TM-score 1.00
Q99040 · AlphaFold monomer V2.0 prediction for glucan 1,6-alpha-glucosidase (Q99040) · 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 Q99040
Elsewhere: RCSB PDB 4XB3 · PDBe 4XB3 · UniProt Q99040

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