Atomistry » Zinc » PDB 3n30-3n9m » 3n5x
Atomistry »
  Zinc »
    PDB 3n30-3n9m »
      3n5x »

Zinc in PDB 3n5x: Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 Neuronal Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5x was solved by H.Li, S.L.Delker, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.62 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.290, 111.100, 164.770, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 19.8

Other elements in 3n5x:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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:

Iron (Fe) 2 atoms
Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine (pdb code 3n5x). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with 4-(2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)Ethyl)Pyridin-3-Yl) Ethyl)-6-Methylpyridin-2-Amine, PDB code: 3n5x:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 3n5x

Go back to Zinc Binding Sites List in 3n5x
Zinc binding site 1 out of 3 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 Neuronal Nitric Oxide Synthase Heme Domain in Complex 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:24.0
occ:1.00
 SG A:CYS331 2.4 25.1 1.0
SG B:CYS331 2.4 23.2 1.0
SG B:CYS326 2.4 26.9 1.0
SG A:CYS326 2.4 28.8 1.0
CB B:CYS331 3.3 26.5 1.0
CB A:CYS331 3.3 26.3 1.0
CB B:CYS326 3.4 33.4 1.0
CB A:CYS326 3.4 34.6 1.0
CA B:CYS331 3.6 26.8 1.0
CA A:CYS331 3.6 27.5 1.0
N B:MET332 4.0 25.4 1.0
N A:MET332 4.0 27.6 1.0
N A:GLY333 4.1 26.7 1.0
N B:GLY333 4.1 24.5 1.0
C B:CYS331 4.2 26.5 1.0
C A:CYS331 4.2 27.6 1.0
CA A:GLY333 4.6 25.8 1.0
CA B:GLY333 4.6 24.2 1.0
CA A:CYS326 4.8 36.1 1.0
CA B:CYS326 4.8 34.2 1.0
N B:CYS331 4.9 28.8 1.0
N A:CYS331 4.9 29.6 1.0
C A:MET332 4.9 27.2 1.0
C B:MET332 4.9 25.3 1.0
O A:HOH1249 5.0 30.4 1.0

Zinc binding site 2 out of 3 in 3n5x

Go back to Zinc Binding Sites List in 3n5x
Zinc binding site 2 out of 3 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 2 of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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:Zn901

b:22.5
occ:0.85
 N11 A:XFK805 2.0 24.0 1.0
OD1 A:ASP600 2.1 25.0 1.0
NE2 B:HIS692 2.1 21.2 1.0
CL A:CL910 2.1 27.4 1.0
CG A:ASP600 2.7 26.7 1.0
OD2 A:ASP600 2.7 23.5 1.0
C12 A:XFK805 2.9 27.9 1.0
C16 A:XFK805 2.9 30.9 1.0
CD2 B:HIS692 3.1 23.7 1.0
CE1 B:HIS692 3.1 21.9 1.0
CG A:ARG596 4.0 26.4 1.0
O A:HOH1038 4.1 13.2 1.0
CB A:ASP600 4.2 27.6 1.0
C13 A:XFK805 4.2 30.3 1.0
ND1 B:HIS692 4.2 20.3 1.0
C15 A:XFK805 4.2 31.7 1.0
CG B:HIS692 4.2 22.7 1.0
CE2 B:PHE691 4.4 23.1 1.0
O B:HOH1525 4.5 26.7 1.0
CA A:ARG596 4.5 24.6 1.0
CB A:ARG596 4.6 23.7 1.0
CD2 B:PHE691 4.7 21.5 1.0
CB B:SER686 4.7 24.3 1.0
C14 A:XFK805 4.8 30.5 1.0
O A:HOH1014 4.8 15.0 1.0

Zinc binding site 3 out of 3 in 3n5x

Go back to Zinc Binding Sites List in 3n5x
Zinc binding site 3 out of 3 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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 3 of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex 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:Zn719

b:20.1
occ:0.85
 OD1 B:ASP600 2.1 23.4 1.0
N11 B:XFK805 2.1 22.0 1.0
NE2 A:HIS692 2.1 21.6 1.0
CL B:CL910 2.2 25.1 1.0
CG B:ASP600 2.7 23.5 1.0
OD2 B:ASP600 2.7 22.9 1.0
C12 B:XFK805 2.9 24.0 1.0
C16 B:XFK805 3.1 26.3 1.0
CE1 A:HIS692 3.1 19.2 1.0
CD2 A:HIS692 3.2 20.3 1.0
CG B:ARG596 4.0 21.9 1.0
O B:HOH1292 4.1 16.2 1.0
CB B:ASP600 4.2 22.4 1.0
ND1 A:HIS692 4.2 19.9 1.0
CG A:HIS692 4.3 19.9 1.0
C13 B:XFK805 4.3 26.9 1.0
CE2 A:PHE691 4.3 20.5 1.0
O A:HOH1150 4.4 32.4 1.0
C15 B:XFK805 4.4 27.0 1.0
CB B:ARG596 4.5 20.9 1.0
CA B:ARG596 4.5 21.3 1.0
CD2 A:PHE691 4.6 18.3 1.0
CB A:SER686 4.7 21.4 1.0
C14 B:XFK805 4.9 27.2 1.0
CD B:ARG596 4.9 21.9 1.0
O A:HOH1036 4.9 13.4 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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy