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Iron in PDB 3n6g: Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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 N368D Single Mutant 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 N368D Single Mutant 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 N368D Single Mutant 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: 3n6g 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) 32.44 / 2.21
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.742, 106.414, 156.889, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.8

Other elements in 3n6g:

The structure of Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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 3n6g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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: 3n6g:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3n6g

Go back to Iron Binding Sites List in 3n6g
Iron binding site 1 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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 Iron with other atoms in the Fe binding site number 1 of Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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:Fe500

b:30.7
occ:1.00
 FE A:HEM500 0.0 30.7 1.0
NC A:HEM500 2.0 30.2 1.0
NA A:HEM500 2.0 28.6 1.0
NB A:HEM500 2.1 27.7 1.0
ND A:HEM500 2.1 30.3 1.0
SG A:CYS186 2.3 31.7 1.0
C4C A:HEM500 3.0 29.7 1.0
C1D A:HEM500 3.0 31.3 1.0
C1B A:HEM500 3.0 27.5 1.0
C4A A:HEM500 3.1 31.7 1.0
C1A A:HEM500 3.1 31.5 1.0
C4D A:HEM500 3.1 31.8 1.0
C1C A:HEM500 3.1 30.2 1.0
C4B A:HEM500 3.2 30.3 1.0
CB A:CYS186 3.3 30.5 1.0
CHD A:HEM500 3.3 30.4 1.0
CHB A:HEM500 3.4 27.6 1.0
CHA A:HEM500 3.5 30.6 1.0
CHC A:HEM500 3.6 30.2 1.0
CA A:CYS186 4.1 29.9 1.0
C04 A:XFK800 4.1 27.2 1.0
C3C A:HEM500 4.2 30.3 1.0
C03 A:XFK800 4.2 27.9 1.0
C2A A:HEM500 4.3 30.5 1.0
C3A A:HEM500 4.3 31.2 1.0
C2C A:HEM500 4.3 30.4 1.0
C2D A:HEM500 4.3 33.1 1.0
C2B A:HEM500 4.3 28.7 1.0
C3D A:HEM500 4.3 33.5 1.0
C3B A:HEM500 4.4 28.4 1.0
NE1 A:TRP180 4.4 30.1 1.0
C05 A:XFK800 4.4 27.5 1.0
C07 A:XFK800 4.4 21.1 1.0
C02 A:XFK800 4.6 29.6 1.0
C06 A:XFK800 4.8 33.0 1.0
N A:GLY188 4.8 31.4 1.0
C A:CYS186 4.8 29.9 1.0
N01 A:XFK800 4.9 29.7 1.0
N A:VAL187 4.9 29.9 1.0
CD1 A:TRP180 5.0 30.1 1.0

Iron binding site 2 out of 2 in 3n6g

Go back to Iron Binding Sites List in 3n6g
Iron binding site 2 out of 2 in the Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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 Iron with other atoms in the Fe binding site number 2 of Structure of Endothelial Nitric Oxide Synthase N368D Single Mutant 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
B:Fe500

b:34.6
occ:1.00
 FE B:HEM500 0.0 34.6 1.0
ND B:HEM500 2.0 33.7 1.0
NC B:HEM500 2.1 32.4 1.0
NB B:HEM500 2.1 32.7 1.0
NA B:HEM500 2.1 33.4 1.0
SG B:CYS186 2.3 32.1 1.0
C1D B:HEM500 3.0 34.1 1.0
C4C B:HEM500 3.0 31.8 1.0
C4D B:HEM500 3.1 34.5 1.0
C1B B:HEM500 3.1 32.8 1.0
C1C B:HEM500 3.1 32.6 1.0
C1A B:HEM500 3.1 33.6 1.0
C4A B:HEM500 3.1 33.4 1.0
C4B B:HEM500 3.1 33.5 1.0
CB B:CYS186 3.4 30.6 1.0
CHD B:HEM500 3.4 33.1 1.0
CHB B:HEM500 3.5 33.7 1.0
CHA B:HEM500 3.5 33.1 1.0
CHC B:HEM500 3.5 31.6 1.0
C04 B:XFK800 4.0 38.8 1.0
C03 B:XFK800 4.1 38.0 1.0
CA B:CYS186 4.2 30.3 1.0
C07 B:XFK800 4.2 38.9 1.0
NE1 B:TRP180 4.2 30.3 1.0
C3C B:HEM500 4.3 32.3 1.0
C2D B:HEM500 4.3 34.2 1.0
C3D B:HEM500 4.3 35.4 1.0
C2C B:HEM500 4.3 33.0 1.0
C2B B:HEM500 4.3 33.2 1.0
C2A B:HEM500 4.3 34.0 1.0
C3B B:HEM500 4.3 31.7 1.0
C3A B:HEM500 4.3 33.4 1.0
C05 B:XFK800 4.5 38.5 1.0
C02 B:XFK800 4.7 35.4 1.0
N B:GLY188 4.8 29.4 1.0
CD1 B:TRP180 4.9 29.3 1.0
C B:CYS186 4.9 29.5 1.0
N B:VAL187 5.0 29.4 1.0
C06 B:XFK800 5.0 37.6 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: Sun Aug 4 16:19:14 2024

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