MolNFT v1 · #122972 · protein

Crystal structure of the R39W mutant of populus trichocarpa glutathione transferase PTGSTU30 in complex with glutathione

5J5N · Glutathione transferase family protein: “Crystal structure of the R39W mutant of populus trichocarpa glutathione transferase PTGSTU30 in complex with…”. X-ray diffraction, 1 ligand (GSH), 5 pockets (best druggability 0.79). MolNFT…

PDB: 5J5N
Type: protein
Length: 436 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione transferase family protein
UniProt: B9I0G5
Ligands: GSH
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glutathione transferase family protein	protein	218	61% helix, 9% strand	B9I0G5

Ligands and binding sites

GSH · Glutathione · 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	968	0.79	0.80	86	GSH
2	113	0.40	0.76	28	empty
3	53	0.35	0.79	14	empty
4	75	0.35	0.76	19	empty
5	97	0.34	0.74	20	empty

Interfaces

1 interface between chains.

A–B · 1169 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

5J5N · Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase… · 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 B9I0G5
Elsewhere: RCSB PDB 5J5N · PDBe 5J5N · UniProt B9I0G5

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