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Crystal structure of E. COLI GRX2: enzyme inhibited state in complex with zinc and glutathione sulfinic acid

Analyse Crystal structure of E. COLI GRX2: enzyme inhibited state in complex with zinc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7D9L
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutaredoxin
UniProt: C3TEC2
Ligands: GSF, ZN, CL, SO4, OXY
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutaredoxin	protein	215	55% helix, 7% strand	C3TEC2

Ligands and binding sites

GSF · L-gamma-glutamyl-3-sulfino-L-alanylglycine · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
CL · Chloride ion · ion · chains A
SO4 · Sulfate ion · ion · chains A
OXY · Oxygen molecule · ion · 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	221	0.52	0.76	28	ZN, GSF, OXY

Compared structures

7D9L · Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt C3TEC2
Elsewhere: RCSB PDB 7D9L · PDBe 7D9L · UniProt C3TEC2

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