MolNFT v1 · #219 · protein

Glutathione S-transferase P1-1

19GS: “Glutathione S-transferase P1-1”. X-ray diffraction, 2 ligands (BSP, GSH), 4 pockets (best druggability 0.72). MolNFT v1 #219 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 19GS
Type: protein
Length: 416 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
EC: 2.5.1.18
UniProt: P09211
Ligands: BSP, GSH
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glutathione S-transferase (EC 2.5.1.18)	protein	208	62% helix, 9% strand	P09211

Ligands and binding sites

BSP · 3,3'-(4,5,6,7-tetrabromo-3-oxo-1(3H)-isobenzofuranylidene)bis [6-hydroxybenzenesulfonic acid]anion · ligand · 2 copies · chains A, B
GSH · Glutathione · ligand · 2 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B

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

Pockets

4 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	636	0.72	0.79	87	GSH
2	87	0.37	0.75	16	empty
3	79	0.33	0.74	18	empty
4	74	0.32	0.74	17	empty

Interfaces

1 interface between chains.

A–B · 1285 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

19GS · Glutathione s-transferase p1-1 · the same entry in another collection · chain A against A, TM-score 1.00
P09211 · AlphaFold monomer V2.0 prediction for glutathione S-transferase P (P09211) · 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 P09211
Elsewhere: RCSB PDB 19GS · PDBe 19GS · UniProt P09211

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