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Glutathione S-transferase in complex with herbicide

Analyse Glutathione S-transferase in complex with herbicide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1BX9
Type: protein
Length: 212 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase; Foe-4053-glutathione conjugate ggl-foe-gly
UniProt: P46422
Ligands: GGL
Pockets: 2 · best druggability 0.35

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase	protein	210	57% helix, 9% strand	P46422
B	Foe-4053-glutathione conjugate ggl-foe-gly	protein	2	0% helix, 0% strand	—

Ligands and binding sites

GGL · Gamma-L-glutamic acid · ligand · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	71	0.35	0.77	15	GGL
2	53	0.31	0.76	15	empty

Interfaces

1 interface between chains.

A–B · 348 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, nonstandard).

Compared structures

1BX9 · Glutathione S-transferase in complex with herbicide · the same entry in another collection · chain B against B, TM-score 1.00
P46422 · AlphaFold monomer V2.0 prediction for glutathione S-transferase F2 (P46422) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P46422
Elsewhere: RCSB PDB 1BX9 · PDBe 1BX9 · UniProt P46422

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