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Zinc in PDB 3n5p: Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine

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

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-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-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5p 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) 43.63 / 2.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.044, 106.099, 158.602, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 26

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n5p). 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 Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5p:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 3n5p

Go back to Zinc Binding Sites List in 3n5p
Zinc binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-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-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:35.6
occ:1.00
SG B:CYS96 2.3 33.4 1.0
SG A:CYS101 2.4 35.8 1.0
SG A:CYS96 2.4 36.8 1.0
SG B:CYS101 2.4 34.4 1.0
CB A:CYS101 3.1 39.5 1.0
CB B:CYS101 3.3 37.3 1.0
CB A:CYS96 3.3 37.5 1.0
CB B:CYS96 3.4 37.0 1.0
CA A:CYS101 3.6 39.9 1.0
CA B:CYS101 3.7 38.8 1.0
N B:GLY103 4.0 37.9 1.0
N B:LEU102 4.1 38.4 1.0
N A:GLY103 4.1 38.1 1.0
N A:LEU102 4.2 38.7 1.0
CA A:GLY103 4.2 38.0 1.0
C A:CYS101 4.3 39.4 1.0
CA B:GLY103 4.3 37.5 1.0
C B:CYS101 4.3 38.8 1.0
CA A:CYS96 4.7 39.4 1.0
CA B:CYS96 4.8 38.5 1.0
N A:CYS101 4.8 41.8 1.0
N B:CYS101 5.0 39.7 1.0
C B:LEU102 5.0 38.4 1.0

Zinc binding site 2 out of 2 in 3n5p

Go back to Zinc Binding Sites List in 3n5p
Zinc binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-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 2 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with 4-(2-(6-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-2-Yl) Ethyl)-6-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1

b:59.9
occ:1.00
OD2 B:ASP371 2.1 41.2 0.5
OE1 A:GLU77 2.3 40.9 0.5
O B:HOH1131 2.5 19.6 1.0
OE2 A:GLU77 2.5 42.6 0.5
CD A:GLU77 2.7 41.2 0.5
CG B:ASP371 2.8 42.2 0.5
ND1 B:HIS373 2.8 58.7 1.0
OD1 B:ASP371 2.8 39.2 0.5
CB B:HIS373 3.0 53.3 1.0
CG B:HIS373 3.2 57.5 1.0
N B:HIS373 3.6 52.1 1.0
CA B:HIS373 3.9 53.5 1.0
CE1 B:HIS373 4.0 61.1 1.0
CG A:GLU77 4.1 41.7 0.5
CB B:ASP371 4.2 43.6 0.5
CG A:GLU77 4.2 42.5 0.5
CB B:ASP371 4.3 43.6 0.5
CD2 B:HIS373 4.5 61.0 1.0
CA A:GLU77 4.5 42.4 0.5
CA A:GLU77 4.6 42.2 0.5
CD B:PRO372 4.6 48.3 1.0
CG B:PRO372 4.6 49.8 1.0
N B:PRO372 4.6 48.2 1.0
C B:ASP371 4.7 46.8 0.5
C B:HIS373 4.8 53.0 1.0
CB A:GLU77 4.8 41.8 0.5
C B:PRO372 4.8 51.9 1.0
NE2 B:HIS373 4.8 62.2 1.0
CB A:GLU77 4.9 41.1 0.5
O A:TRP76 4.9 43.4 1.0
O A:GLU77 5.0 44.3 0.5
O A:GLU77 5.0 44.6 0.5
C B:ASP371 5.0 46.8 0.5

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 Sep 26 11:54:57 2020
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