MolNFT v1 · #8148 · protein

Glutathione transferase A1-1 in unliganded form

1GSD: “Glutathione transferase A1-1 in unliganded form”. X-ray diffraction, 9 pockets (best druggability 0.83). MolNFT v1 #8148 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1GSD
Type: protein
Length: 832 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione transferase A1-1
EC: 2.5.1.18
UniProt: P08263
Pockets: 9 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Glutathione transferase A1-1 (EC 2.5.1.18)	protein	208	58% helix, 8% strand	P08263

Pockets

9 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	985	0.83	0.84	93	empty
2	1009	0.82	0.83	98	empty
3	134	0.40	0.74	21	empty
4	129	0.39	0.74	20	empty
5	112	0.38	0.75	28	empty

Interfaces

3 interfaces between chains.

C–D · 1549 Å² buried · 25 hydrogen bonds · protein-protein
A–B · 1536 Å² buried · 25 hydrogen bonds · protein-protein
B–D · 194 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1GSD · Glutathione transferase A1-1 in unliganded form · the same entry in another collection · chain A against A, TM-score 1.00
P08263 · AlphaFold monomer V2.0 prediction for glutathione S-transferase A1 (P08263) · 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 P08263
Elsewhere: RCSB PDB 1GSD · PDBe 1GSD · UniProt P08263

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