Structure of bacillus subtilis nitric oxide synthase in complex with 6,6'-(2,2'-(5-amino-1,3-PHENYLENE)BIS(ETHANE-2,1-DIYL))BIS(4- methylpyridin-2-amine)

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · chains A
• XFN · 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) · ligand · chains A
• CL · Chloride ion · ion · chains A
• GOL · Glycerol · additive · 4 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A
• POL · N-propanol · additive · chains A

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.

Compared structures

• 4D3J · Structure of Bacillus subtilis Nitric Oxide Synthase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• O34453 · AlphaFold monomer V2.0 prediction for nitric oxide synthase oxygenase (O34453) · a predicted model of the same protein · 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 O34453
• Elsewhere: RCSB PDB 4D3J · PDBe 4D3J · UniProt O34453