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Iron in PDB 4cvg: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One.

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One.

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One.:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One., PDB code: 4cvg was solved by G.Chreifi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.31
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.414, 105.957, 156.530, 90.00, 90.00, 90.00
R / Rfree (%) 15.479 / 21.358

Other elements in 4cvg:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One. 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One. (pdb code 4cvg). 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 Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One., PDB code: 4cvg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cvg

Go back to Iron Binding Sites List in 4cvg
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:33.7
occ:1.00
 FE A:HEM500 0.0 33.7 1.0
ND A:HEM500 1.9 28.8 1.0
NA A:HEM500 2.0 35.4 1.0
NB A:HEM500 2.0 26.2 1.0
NC A:HEM500 2.0 31.6 1.0
SG A:CYS186 2.3 38.6 1.0
C4D A:HEM500 2.9 29.9 1.0
C1D A:HEM500 2.9 31.3 1.0
C4B A:HEM500 2.9 33.2 1.0
C1B A:HEM500 3.0 32.5 1.0
C1A A:HEM500 3.0 32.7 1.0
C1C A:HEM500 3.0 31.3 1.0
C4C A:HEM500 3.1 34.0 1.0
C4A A:HEM500 3.1 33.8 1.0
CHA A:HEM500 3.4 30.9 1.0
CB A:CYS186 3.4 36.7 1.0
CHC A:HEM500 3.4 33.3 1.0
CHD A:HEM500 3.4 31.9 1.0
CHB A:HEM500 3.5 33.3 1.0
NH2 A:ARG700 4.1 59.1 1.0
CA A:CYS186 4.1 34.1 1.0
CZ A:ARG700 4.2 70.6 1.0
C3D A:HEM500 4.2 30.6 1.0
C2D A:HEM500 4.2 30.8 1.0
C2B A:HEM500 4.2 30.6 1.0
C3B A:HEM500 4.2 32.6 1.0
C2C A:HEM500 4.2 32.9 1.0
C2A A:HEM500 4.2 36.1 1.0
C3C A:HEM500 4.2 31.1 1.0
C3A A:HEM500 4.3 35.2 1.0
NE1 A:TRP180 4.4 32.5 1.0
NH1 A:ARG700 4.5 59.5 1.0
NE A:ARG700 4.5 69.2 1.0
N A:GLY188 4.8 32.4 1.0
C A:CYS186 4.9 34.0 1.0
N A:VAL187 4.9 33.2 1.0
CD A:ARG700 5.0 77.6 1.0

Iron binding site 2 out of 2 in 4cvg

Go back to Iron Binding Sites List in 4cvg
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain (H4B-Free) Supplemented with 50UM Zn Acetate and with Poor Binding of 6-Acetyl-2-Amino-7,7-Dimethyl-7,8-Dihydropteridin-4(3H)-One. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:37.7
occ:1.00
 FE B:HEM500 0.0 37.7 1.0
ND B:HEM500 1.9 42.5 1.0
NA B:HEM500 2.0 40.3 1.0
NB B:HEM500 2.1 37.4 1.0
NC B:HEM500 2.1 37.4 1.0
SG B:CYS186 2.3 35.8 1.0
C1D B:HEM500 3.0 43.5 1.0
C4D B:HEM500 3.0 41.8 1.0
C1A B:HEM500 3.0 41.1 1.0
C4A B:HEM500 3.0 37.4 1.0
C4B B:HEM500 3.0 40.7 1.0
C4C B:HEM500 3.1 35.4 1.0
C1B B:HEM500 3.1 38.3 1.0
C1C B:HEM500 3.1 38.7 1.0
CHB B:HEM500 3.4 35.0 1.0
CHC B:HEM500 3.4 40.2 1.0
CHD B:HEM500 3.4 36.1 1.0
CHA B:HEM500 3.4 35.1 1.0
CB B:CYS186 3.5 38.2 1.0
NH2 B:ARG700 3.7 69.3 1.0
CZ B:ARG700 4.0 77.5 1.0
CA B:CYS186 4.2 39.4 1.0
C2A B:HEM500 4.2 48.6 1.0
C3A B:HEM500 4.2 41.8 1.0
C3D B:HEM500 4.2 42.9 1.0
C2D B:HEM500 4.2 44.2 1.0
C3C B:HEM500 4.3 37.4 1.0
C2C B:HEM500 4.3 42.4 1.0
C2B B:HEM500 4.3 38.6 1.0
C3B B:HEM500 4.3 40.7 1.0
NE1 B:TRP180 4.4 36.8 1.0
NE B:ARG700 4.5 72.8 1.0
NH1 B:ARG700 4.5 64.0 1.0
CD B:ARG700 4.9 77.2 1.0
N B:GLY188 4.9 35.2 1.0
C B:CYS186 4.9 36.1 1.0
N B:VAL187 5.0 37.9 1.0

Reference:

G.Chreifi, H.Li, C.R.Mcinnes, C.L.Gibson, C.J.Suckling, T.L.Poulos. Communication Between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase. Biochemistry V. 53 4216 2014.
ISSN: ISSN 0006-2960
PubMed: 24819538
DOI: 10.1021/BI5003986
Page generated: Mon Aug 5 00:57:13 2024

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