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Zinc in PDB 3n5s: Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5s was solved by S.L.Delker, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.10 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.954, 106.802, 157.026, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 22

Other elements in 3n5s:

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n5s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5s:

Zinc binding site 1 out of 1 in 3n5s

Go back to Zinc Binding Sites List in 3n5s
Zinc binding site 1 out of 1 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:26.7
occ:1.00
 SG B:CYS96 2.3 26.7 1.0
SG A:CYS101 2.3 28.3 1.0
SG B:CYS101 2.4 27.1 1.0
SG A:CYS96 2.4 29.4 1.0
CB B:CYS101 3.3 28.3 1.0
CB A:CYS101 3.3 29.5 1.0
CB B:CYS96 3.4 28.5 1.0
CB A:CYS96 3.5 31.9 1.0
CA B:CYS101 3.6 29.8 1.0
CA A:CYS101 3.7 30.1 1.0
N A:GLY103 4.0 28.9 1.0
N B:GLY103 4.0 28.6 1.0
N A:LEU102 4.1 29.4 1.0
N B:LEU102 4.1 29.8 1.0
C A:CYS101 4.3 29.9 1.0
CA B:GLY103 4.3 27.2 1.0
C B:CYS101 4.3 29.3 1.0
CA A:GLY103 4.3 27.7 1.0
CA B:CYS96 4.8 29.8 1.0
CA A:CYS96 4.8 33.0 1.0
O A:HOH1123 4.9 31.4 1.0
N B:CYS101 4.9 30.9 1.0
N A:CYS101 4.9 31.1 1.0
C A:LEU102 5.0 29.0 1.0
C B:LEU102 5.0 28.5 1.0

Reference:

S.L.Delker, F.Xue, H.Li, J.Jamal, R.B.Silverman, T.L.Poulos. Role of Zinc in Isoform-Selective Inhibitor Binding to Neuronal Nitric Oxide Synthase . Biochemistry V. 49 10803 2010.
ISSN: ISSN 0006-2960
PubMed: 21138269
DOI: 10.1021/BI1013479
Page generated: Sat Oct 26 10:02:13 2024

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