MolNFT v1 · #110913 · protein

Crystal structure of ligg in complex with B-glutathionyl- acetoveratrone (gs-av) from sphingobium sp. strain syk-6

4YAV · Glutathione S-transferase: “Crystal structure of ligg in complex with B-glutathionyl- acetoveratrone (gs-av) from sphingobium sp. strain…”. X-ray diffraction, 2 ligands (GAZ, SO4), 1 pocket (best druggability 0.44). MolNFT v1…

PDB: 4YAV
Type: protein
Length: 262 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
UniProt: G2IN94
Ligands: GAZ, SO4
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase	protein	262	48% helix, 7% strand	G2IN94

Ligands and binding sites

GAZ · L-gamma-glutamyl-3-{(E)-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-lambda~4~-sulfanyl}-L-alanylglycine · ligand · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	152	0.44	0.75	29	GAZ

Modifications

Observed in the structure: 10 modified (engineered, oxidation).

Compared structures

4YAV · Crystal structure of LigG in complex with B-glutathionyl-acetoveratrone (GS-AV) from… · 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 G2IN94
Elsewhere: RCSB PDB 4YAV · PDBe 4YAV · UniProt G2IN94

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