MolNFT v1 · #103665 · protein

Glutathione S-transferase from drosophila melanogaster - isozyme E7

4PNG · LD04004P: “Glutathione S-transferase from drosophila melanogaster - isozyme E7”. X-ray diffraction, 1 ligand (GSF), 5 pockets (best druggability 0.84). MolNFT v1 #103665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4PNG
Type: protein
Length: 444 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LD04004P
UniProt: Q8MR33
Ligands: GSF
Pockets: 5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 57% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LD04004P	protein	221	57% helix, 11% strand	Q8MR33
B	LD04004P	protein	223	56% helix, 10% strand	Q8MR33

Ligands and binding sites

GSF · L-gamma-glutamyl-3-sulfino-L-alanylglycine · ligand · 2 copies · chains A, B

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

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	1174	0.84	0.85	111	GSF
2	128	0.41	0.75	27	empty
3	94	0.36	0.74	21	empty
4	65	0.32	0.76	13	empty
5	54	0.27	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 1426 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4PNG · Glutathione S-transferase from Drosophila melanogaster - isozyme E7 · the same entry in another collection · 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 Q8MR33
Elsewhere: RCSB PDB 4PNG · PDBe 4PNG · UniProt Q8MR33

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