MolNFT v1 · #12007 · protein

Crystal structure analysis of apo glutathione S-transferase

1K3O · Glutathione S-transferase A1: “Crystal structure analysis of apo glutathione S-transferase”. X-ray diffraction, 5 pockets (best druggability 0.82). MolNFT v1 #12007 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K3O
Type: protein
Length: 406 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase A1
EC: 2.5.1.18
UniProt: P08263
Pockets: 5 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 56% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase A1 (EC 2.5.1.18)	protein	198	55% helix, 8% strand	P08263
B	Glutathione S-transferase A1 (EC 2.5.1.18)	protein	208	57% helix, 9% strand	P08263

Pockets

5 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	1115	0.82	0.83	92	empty
2	99	0.36	0.74	18	empty
3	80	0.34	0.75	24	empty
4	62	0.29	0.74	14	empty
5	66	0.28	0.72	16	empty

Interfaces

1 interface between chains.

A–B · 1503 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

1K3O · Crystal Structure Analysis of apo Glutathione S-Transferase · 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 0.99

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 1K3O · PDBe 1K3O · UniProt P08263

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