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Glutathione S-transferase P1-1 complexed with cibacron blue

Analyse Glutathione S-transferase P1-1 complexed with cibacron blue in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 20GS
Type: protein
Length: 416 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase
EC: 2.5.1.18
UniProt: P09211
Ligands: CBD
Pockets: 4 · best druggability 0.72

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glutathione S-transferase (EC 2.5.1.18)	protein	208	61% helix, 9% strand	P09211

Ligands and binding sites

CBD · Cibacron blue · ligand · 2 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	694	0.72	0.79	87	CBD
2	91	0.36	0.75	14	empty
3	80	0.35	0.75	13	empty
4	59	0.30	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 1255 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

20GS · Glutathione S-transferase P1-1 complexed with cibacron blue · 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 P09211
Elsewhere: RCSB PDB 20GS · PDBe 20GS · UniProt P09211

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