MolNFT v1 · #78562 · protein

Crystal structure of rice BGLU1 E386S mutant

3SCR · Beta-glucosidase 7: “Crystal structure of rice BGLU1 E386S mutant”. X-ray diffraction, 2 ligands (ZN, SO4), 6 pockets (best druggability 0.69). MolNFT v1 #78562 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3SCR
Type: protein
Length: 944 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-glucosidase 7
EC: 3.2.1.21
UniProt: Q75I93
Ligands: ZN, SO4
Pockets: 6 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-glucosidase 7 (EC 3.2.1.21)	protein	472	45% helix, 16% strand	Q75I93

Ligands and binding sites

ZN · Zinc ion · metal · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	359	0.69	0.81	35	GOL
2	384	0.69	0.81	39	GOL
3	328	0.57	0.76	34	empty
4	292	0.55	0.76	26	empty
5	53	0.38	0.81	15	empty

Interfaces

1 interface between chains.

A–B · 608 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3SCR · Crystal Structure of Rice BGlu1 E386S Mutant · the same entry in another collection · chain A against A, TM-score 1.00
Q75I93 · AlphaFold monomer V2.0 prediction for beta-glucosidase 7 (Q75I93) · 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 Q75I93
Elsewhere: RCSB PDB 3SCR · PDBe 3SCR · UniProt Q75I93

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