MolNFT v1 · #67667 · protein

1.2 ångström crystal structure of the glutaredoxin 2 (grxb) from salmonella typhimurium in complex with glutathione

3IR4: “1.2 ångström crystal structure of the glutaredoxin 2 (grxb) from salmonella typhimurium in complex with…”. X-ray diffraction, 3 ligands (GSH, SO4, CL), 1 pocket (best druggability 0.52). MolNFT v1 #67667 on GenesisL1: 3D structure…

PDB: 3IR4
Type: protein
Length: 218 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutaredoxin 2
UniProt: Q7CQR3
Ligands: GSH, SO4, CL
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutaredoxin 2	protein	218	56% helix, 7% strand	Q7CQR3

Ligands and binding sites

GSH · Glutathione · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A
CL · Chloride ion · 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	199	0.52	0.77	27	GSH, CL

Modifications

Observed in the structure: 7 modified, 1 covalent (engineered, covalent ligand).

Compared structures

3IR4 · 1.2 Angstrom Crystal Structure of the Glutaredoxin 2 (grxB) from Salmonella typhimurium… · 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 Q7CQR3
Elsewhere: RCSB PDB 3IR4 · PDBe 3IR4 · UniProt Q7CQR3

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