MolNFT v1 · #26016 · protein

Aphid myrosinase

1WCG · Thioglucosidase: “Aphid myrosinase”. X-ray diffraction, 5 pockets (best druggability 0.75). MolNFT v1 #26016 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1WCG
Type: protein
Length: 924 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioglucosidase
EC: 3.2.3.1
UniProt: Q95X01
Pockets: 5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thioglucosidase (EC 3.2.3.1)	protein	462	47% helix, 15% strand	Q95X01

Ligands and binding sites

GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

5 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	404	0.75	0.84	34	GOL
2	388	0.74	0.84	33	GOL
3	545	0.68	0.78	76	empty
4	367	0.64	0.79	28	empty
5	59	0.33	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 1069 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1WCG · Aphid myrosinase · the same entry in another collection · chain A against A, TM-score 1.00
Q95X01 · AlphaFold monomer V2.0 prediction for myrosinase 1 (Q95X01) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q95X01
Elsewhere: RCSB PDB 1WCG · PDBe 1WCG · UniProt Q95X01

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