Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-YL)METHOXY) METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-methylpyridin-2-amine

Structure

x-ray diffraction · 2 distinct chains · 40% 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
• QJ8 · 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine · ligand · 2 copies · chains A, B
• ZN · Zinc ion · metal · chains A, B
• ACT · Acetate ion · additive · 4 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

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

Interfaces

1 interface between chains.

• A–B · 2935 Ų buried · 37 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

• 4LUW · Structure of bovine endothelial nitric oxide synthase heme domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Every structure of UniProt P29473
• Elsewhere: RCSB PDB 4LUW · PDBe 4LUW · UniProt P29473