MolNFT v1 · #32886 · protein

Human glutathione-S-transferase T1-1, apo form

2C3N · Glutathione S-transferase theta 1: “Human glutathione-S-transferase T1-1, apo form”. X-ray diffraction, 1 ligand (IOD), 8 pockets (best druggability 0.86). MolNFT v1 #32886 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2C3N
Type: protein
Length: 956 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase theta 1
EC: 2.5.1.18
UniProt: P30711
Ligands: IOD
Pockets: 8 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Glutathione S-transferase theta 1 (EC 2.5.1.18)	protein	239	64% helix, 7% strand	P30711

Ligands and binding sites

IOD · Iodide ion · ion · 15 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	939	0.86	0.87	91	IOD
2	431	0.80	0.88	49	IOD
3	437	0.78	0.86	42	IOD
4	98	0.38	0.76	17	empty
5	90	0.36	0.75	17	empty

Interfaces

2 interfaces between chains.

A–B · 1472 Å² buried · 13 hydrogen bonds · protein-protein
C–D · 1460 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2C3N · Human glutathione-S-transferase T1-1, apo form · the same entry in another collection · chain A against A, TM-score 1.00
P30711 · AlphaFold monomer V2.0 prediction for glutathione S-transferase theta-1 (P30711) · 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 P30711
Elsewhere: RCSB PDB 2C3N · PDBe 2C3N · UniProt P30711

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