Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-YL)ETHYL) phenethyl)-4-methylpyridin-2-amine

Structure

x-ray diffraction · 3 distinct chains.

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
• H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 4 copies · chains A, B, C, D
• KNV · 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine · ligand · 4 copies · chains A, B, C, D
• GD · Gadolinium atom · metal · 4 copies · chains B, D
• ZN · Zinc ion · metal · 2 copies · chains A, B, C, D
• CL · Chloride ion · ion · 4 copies · chains A, B, C, D
• BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 11 copies · chains A, B, C, D
• GOL · Glycerol · additive · 2 copies · chains A, C

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

Compared structures

• 6NHF · Structure of human endothelial nitric oxide synthase heme domain in complex with… · 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 A0S0A6
• Elsewhere: RCSB PDB 6NHF · PDBe 6NHF · UniProt A0S0A6