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Iron in PDB 9cvi: Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride, PDB code: 9cvi was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.84 / 2.03
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 48.545, 114.161, 163.961, 90, 90, 90
R / Rfree (%) 23.4 / 29.7

Other elements in 9cvi:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride (pdb code 9cvi). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride, PDB code: 9cvi:

Iron binding site 1 out of 1 in 9cvi

Go back to Iron Binding Sites List in 9cvi
Iron binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase R349A Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl)Pyridin- 2-Amine Dihydrochloride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:54.0
occ:1.00
 FE A:HEM801 0.0 54.0 1.0
ND A:HEM801 2.0 62.4 1.0
NA A:HEM801 2.1 65.3 1.0
NB A:HEM801 2.1 60.2 1.0
NC A:HEM801 2.1 51.9 1.0
SG A:CYS415 2.4 48.5 1.0
C1D A:HEM801 3.0 65.3 1.0
C4D A:HEM801 3.1 57.4 1.0
C1B A:HEM801 3.1 66.9 1.0
C4C A:HEM801 3.1 51.5 1.0
C1A A:HEM801 3.1 65.6 1.0
C4A A:HEM801 3.1 62.8 1.0
C4B A:HEM801 3.2 56.8 1.0
CB A:CYS415 3.2 43.4 1.0
C1C A:HEM801 3.2 40.3 1.0
CHD A:HEM801 3.4 53.3 1.0
CHB A:HEM801 3.4 66.4 1.0
CHA A:HEM801 3.5 61.4 1.0
CHC A:HEM801 3.6 46.2 1.0
CA A:CYS415 4.0 46.0 1.0
C2D A:HEM801 4.2 61.1 1.0
C03 A:KMI803 4.2 46.7 1.0
C3D A:HEM801 4.2 45.8 1.0
C04 A:KMI803 4.3 54.4 1.0
C2B A:HEM801 4.3 61.2 1.0
C3B A:HEM801 4.3 61.4 1.0
C2A A:HEM801 4.4 65.4 1.0
C3A A:HEM801 4.4 66.6 1.0
C3C A:HEM801 4.4 42.8 1.0
C2C A:HEM801 4.4 46.4 1.0
NE1 A:TRP409 4.4 52.3 1.0
C07 A:KMI803 4.5 53.4 1.0
C02 A:KMI803 4.7 52.6 1.0
C05 A:KMI803 4.7 57.1 1.0
C A:CYS415 4.8 42.3 1.0
N A:GLY417 4.9 52.8 1.0
N A:VAL416 5.0 55.9 1.0

Reference:

D.Vasu, H.T.Do, H.Li, C.D.Hardy, T.L.Poulos, R.B.Silverman. Truncated Pyridinylbenzylamines: Potent, Selective, and Highly Membrane Permeable Inhibitors of Human Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem. V. 124 18193 2025.
ISSN: ESSN 1464-3391
PubMed: 40252563
DOI: 10.1016/J.BMC.2025.118193
Page generated: Fri Aug 8 03:39:18 2025

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