MolNFT v1 · #150410 · protein

First-sphere and second-sphere electrostatic effects in the active site of a class mu glutathione transferase

6GSU · Mu class glutathione S-transferase of isoenzyme 3-3: “First-sphere and second-sphere electrostatic effects in the active site of a class mu glutathione transferase”. X-ray diffraction, 2 ligands (GPS, SO4), 5 pockets (best…

PDB: 6GSU
Type: protein
Length: 434 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mu class glutathione S-transferase of isoenzyme 3-3
EC: 2.5.1.18
UniProt: P04905
Ligands: GPS, SO4
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Mu class glutathione S-transferase of isoenzyme 3-3 (EC 2.5.1.18)	protein	217	49% helix, 9% strand	P04905

Ligands and binding sites

GPS · L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 3 copies · chains A

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

Pockets

5 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	904	0.76	0.79	79	SO4, GPS
2	176	0.60	0.82	19	empty
3	57	0.37	0.79	13	empty
4	50	0.29	0.75	11	empty
5	56	0.28	0.74	11	empty

Interfaces

1 interface between chains.

A–B · 1395 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

6GSU · First-sphere and second-sphere electrostatic effects in the active site of a class mu… · the same entry in another collection · chain A against A, TM-score 1.00
P04905 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 1 (P04905) · 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 P04905
Elsewhere: RCSB PDB 6GSU · PDBe 6GSU · UniProt P04905

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.