Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(OMEGA)-nitroarginine-2,4-L-diaminobutyramide bound

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
• H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 2 copies · chains A, B
• DP1 · L-n(omega)-nitroarginine-2,4-L-diaminobutyric amide · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · chains A, B
• CAC · Cacodylate ion · additive · 2 copies · chains A, B
• ACT · Acetate ion · additive · 2 copies · chains A, B
• GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 2833 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

• 1Q2O · Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with… · the same entry in another collection · chain A against A, TM-score 1.00
• P29473 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, endothelial (P29473) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P29473
• Elsewhere: RCSB PDB 1Q2O · PDBe 1Q2O · UniProt P29473