MolNFT v1 · #176381 · protein

Crystal structure of TXGH116 E441A nucleophile mutant from thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride

7DKT · Beta-glucosidase: “Crystal structure of TXGH116 E441A nucleophile mutant from thermoanaerobacterium xylanolyticum with…”. X-ray diffraction, 2 ligands (GLF, CA), 5 pockets (best druggability 0.56). MolNFT v1 #176381 on GenesisL1: 3D…

PDB: 7DKT
Type: protein
Length: 769 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase
EC: 3.2.1.21
UniProt: F6BL85
Ligands: GLF, CA
Pockets: 5 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-glucosidase (EC 3.2.1.21)	protein	769	31% helix, 23% strand	F6BL85

Ligands and binding sites

GLF · alpha-D-glucopyranosyl fluoride · ligand · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · 13 copies · chains A

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

Pockets

5 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	178	0.56	0.80	28	GLF, GOL
2	133	0.44	0.76	23	empty
3	72	0.36	0.77	14	GOL
4	72	0.34	0.76	20	GOL
5	61	0.29	0.74	16	GOL

Compared structures

7DKT · Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium… · 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 F6BL85
Elsewhere: RCSB PDB 7DKT · PDBe 7DKT · UniProt F6BL85

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