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The crystal structure of glutathione S-transferase SNIGGSTD1A from scaptomyza nigrita in complex with glutathione

Analyse The crystal structure of glutathione S-transferase SNIGGSTD1A from scaptomyza… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4I97
Type: protein
Length: 414 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Delta class 1 glutathione S-transferase
Ligands: GSH
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Delta class 1 glutathione S-transferase	protein	207	61% helix, 9% strand	—

Ligands and binding sites

GSH · Glutathione · ligand · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	627	0.71	0.78	47	GSH
2	617	0.70	0.78	44	GSH
3	98	0.37	0.75	26	empty
4	106	0.36	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 1444 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4I97 · The crystal structure of glutathione S-transferase SnigGSTD1A from Scaptomyza nigrita in… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4I97 · PDBe 4I97

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