MolNFT v1 · #112117 · protein

Crystal structure of the glutathione transferase URE2P6 from phanerochaete chrysosporium in complex with glutathione reduced by X- ray irradiation at 100K

4ZBD · PCURE2P6: “Crystal structure of the glutathione transferase URE2P6 from phanerochaete chrysosporium in complex with…”. X-ray diffraction, 1 ligand (GSH), 5 pockets (best druggability 0.72). MolNFT v1 #112117 on GenesisL1: 3D…

PDB: 4ZBD
Type: protein
Length: 438 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PCURE2P6
Ligands: GSH
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	PCURE2P6	protein	219	58% helix, 8% strand	—

Ligands and binding sites

GSH · Glutathione · ligand · 4 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	460	0.72	0.82	47	GSH
2	468	0.71	0.81	44	GSH
3	119	0.37	0.73	18	empty
4	80	0.35	0.75	20	empty
5	86	0.31	0.73	19	empty

Interfaces

1 interface between chains.

A–B · 2028 Å² buried · 36 hydrogen bonds · protein-protein

Compared structures

4ZBD · Crystal structure of the glutathione transferase URE2P6 from Phanerochaete chrysosporium… · 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
Elsewhere: RCSB PDB 4ZBD · PDBe 4ZBD

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