MolNFT v1 · #153104 · protein

Crystal structure of an apo form of the glutathione S-transferase, CSGST63524, of ceriporiopsis subvermispora

6J3E: “Crystal structure of an apo form of the glutathione S-transferase, CSGST63524, of ceriporiopsis subvermispora”. X-ray diffraction, 2 pockets (best druggability 0.66). MolNFT v1 #153104 on GenesisL1: 3D structure, binding sites and…

PDB: 6J3E
Type: protein
Length: 508 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
UniProt: M2R618
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glutathione S-transferase	protein	254	56% helix, 11% strand	M2R618

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 14 copies · chains A, B

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

Pockets

2 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	547	0.66	0.76	51	EDO
2	495	0.64	0.76	58	EDO

Interfaces

1 interface between chains.

A–B · 1072 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6J3E · Crystal structure of an apo form of the glutathione S-transferase, CsGST63524, of… · 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 M2R618
Elsewhere: RCSB PDB 6J3E · PDBe 6J3E · UniProt M2R618

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