Atomistry » Zinc » PDB 9civ-9dby » 9cvs
Atomistry »
  Zinc »
    PDB 9civ-9dby »
      9cvs »

Zinc in PDB 9cvs: Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride

Enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride

All present enzymatic activity of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D 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 Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride, PDB code: 9cvs 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) 39.28 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 52.353, 118.843, 165.112, 90, 90.12, 90
R / Rfree (%) 18 / 22.2

Other elements in 9cvs:

The structure of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride (pdb code 9cvs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D Mutant Heme Domain Bound with 4-Methyl-6-(3-((Methylamino)Methyl)Phenyl) Pyridin-2-Amine Dihydrochloride, PDB code: 9cvs:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 9cvs

Go back to Zinc Binding Sites List in 9cvs
Zinc binding site 1 out of 2 in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D 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 Zinc with other atoms in the Zn binding site number 1 of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D 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:Zn805

b:35.1
occ:1.00
 SG B:CYS336 2.3 37.8 1.0
SG A:CYS331 2.3 37.1 1.0
SG B:CYS331 2.4 36.1 1.0
SG A:CYS336 2.5 33.4 1.0
CB A:CYS336 3.2 29.7 1.0
CB B:CYS336 3.3 30.7 1.0
CB A:CYS331 3.4 29.4 1.0
CB B:CYS331 3.5 31.5 1.0
CA A:CYS336 3.6 28.5 1.0
CA B:CYS336 3.6 28.4 1.0
N A:MET337 3.9 30.2 1.0
N B:MET337 4.0 33.9 1.0
C A:CYS336 4.2 33.4 1.0
N A:GLY338 4.2 35.5 1.0
N B:GLY338 4.2 37.1 1.0
C B:CYS336 4.2 33.8 1.0
CA B:GLY338 4.6 37.2 1.0
CA A:GLY338 4.6 32.7 1.0
CA A:CYS331 4.7 33.0 1.0
O B:HOH983 4.8 46.1 1.0
O A:HOH996 4.8 45.3 1.0
N A:CYS336 4.8 34.8 1.0
CA B:CYS331 4.9 38.7 1.0
N B:CYS336 4.9 30.3 1.0
O B:ILE335 5.0 41.3 1.0
C B:MET337 5.0 37.2 1.0
C A:MET337 5.0 30.9 1.0
O A:ILE335 5.0 44.9 1.0

Zinc binding site 2 out of 2 in 9cvs

Go back to Zinc Binding Sites List in 9cvs
Zinc binding site 2 out of 2 in the Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D 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 Zinc with other atoms in the Zn binding site number 2 of Structure of Human Neuronal Nitric Oxide Synthase R354A/G357D 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
D:Zn801

b:34.3
occ:1.00
 SG C:CYS336 2.3 38.4 1.0
SG C:CYS331 2.3 34.6 1.0
SG D:CYS331 2.3 36.6 1.0
SG D:CYS336 2.4 35.7 1.0
CB D:CYS336 3.2 33.3 1.0
CB C:CYS336 3.2 31.8 1.0
CB D:CYS331 3.4 28.0 1.0
CB C:CYS331 3.5 28.9 1.0
CA C:CYS336 3.6 31.5 1.0
CA D:CYS336 3.6 33.4 1.0
N C:MET337 4.0 33.5 1.0
N D:MET337 4.0 29.1 1.0
N C:GLY338 4.1 30.2 1.0
C D:CYS336 4.2 34.8 1.0
N D:GLY338 4.2 34.4 1.0
C C:CYS336 4.2 37.0 1.0
CA C:GLY338 4.6 34.8 1.0
CA D:GLY338 4.6 31.9 1.0
CA D:CYS331 4.8 37.2 1.0
O D:HOH1021 4.8 47.7 1.0
O C:HOH977 4.8 51.2 1.0
N C:CYS336 4.8 32.2 1.0
N D:CYS336 4.9 33.6 1.0
CA C:CYS331 4.9 38.1 1.0
O C:ILE335 5.0 42.7 1.0
C C:MET337 5.0 34.8 1.0
C D:MET337 5.0 31.4 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 22 17:02:59 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy