MolNFT v1 · #100517 · protein

Crystal structure of nu-class glutathione transferase yghu from streptococcus sanguinis SK36, complex with glutathione disulfide, target efi-507286

4MZW · Glutathione S-transferase: “Crystal structure of nu-class glutathione transferase yghu from streptococcus sanguinis SK36, complex with…”. X-ray diffraction, 1 ligand (GDS), 4 pockets (best druggability 0.84). MolNFT v1 #100517 on…

PDB: 4MZW
Type: protein
Length: 531 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
UniProt: A3CNR0
Ligands: GDS
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase	protein	270	50% helix, 9% strand	A3CNR0
B	Glutathione S-transferase	protein	261	51% helix, 10% strand	A3CNR0

Ligands and binding sites

GDS · Oxidized glutathione disulfide · ligand · 2 copies · chains A, B
ACT · Acetate ion · additive · chains B

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

Pockets

4 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	687	0.84	0.88	62	GDS
2	572	0.82	0.88	57	GDS, ACT
3	93	0.34	0.73	24	empty
4	67	0.31	0.75	21	empty

Interfaces

1 interface between chains.

A–B · 3353 Å² buried · 46 hydrogen bonds · protein-protein

Compared structures

4MZW · CRYSTAL STRUCTURE OF NU-CLASS GLUTATHIONE TRANSFERASE YGHU FROM Streptococcus sanguinis… · 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 A3CNR0
Elsewhere: RCSB PDB 4MZW · PDBe 4MZW · UniProt A3CNR0

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