MolNFT v1 · #99985 · protein

Crystal structure of a glutathione transferase family member from cupriavidus metallidurans CH34, target efi-507362, with bound glutathione sulfinic acid (GSO2H)

4MK3 · Glutathione S-transferase: “Crystal structure of a glutathione transferase family member from cupriavidus metallidurans CH34, target…”. X-ray diffraction, 2 ligands (GSF, MG), 1 pocket (best druggability 0.59). MolNFT v1 #99985 on…

PDB: 4MK3
Type: protein
Length: 203 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
EC: 2.5.1.18
UniProt: Q1LJ46
Ligands: GSF, MG
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase (EC 2.5.1.18)	protein	203	56% helix, 7% strand	Q1LJ46

Ligands and binding sites

GSF · L-gamma-glutamyl-3-sulfino-L-alanylglycine · ligand · chains A
MG · Magnesium ion · metal · chains A
PG4 · Tetraethylene glycol · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	243	0.59	0.79	31	GSF

Compared structures

4MK3 · Crystal structure of a glutathione transferase family member from Cupriavidus… · 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 Q1LJ46
Elsewhere: RCSB PDB 4MK3 · PDBe 4MK3 · UniProt Q1LJ46

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