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Iron in PDB 4cul: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 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 in Complex with 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 in Complex with 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 in Complex with 6-Acetyl-2-Amino-7,7-Dimethyl-7,8- Dihydropteridin-4(3H)-One, PDB code: 4cul 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 / 2.23
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.092, 105.468, 158.252, 90.00, 90.00, 90.00
R / Rfree (%) 16.506 / 20.886

Other elements in 4cul:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-Acetyl-2-Amino-7,7-Dimethyl-7,8- Dihydropteridin-4(3H)-One also contains other interesting chemical elements:

Arsenic (As) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-Acetyl-2-Amino-7,7-Dimethyl-7,8- Dihydropteridin-4(3H)-One (pdb code 4cul). 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 in Complex with 6-Acetyl-2-Amino-7,7-Dimethyl-7,8- Dihydropteridin-4(3H)-One, PDB code: 4cul:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cul

Go back to Iron Binding Sites List in 4cul
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 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 in Complex with 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:30.4
occ:1.00
 FE A:HEM500 0.0 30.4 1.0
ND A:HEM500 1.9 27.0 1.0
NA A:HEM500 2.0 29.4 1.0
NB A:HEM500 2.1 26.9 1.0
NC A:HEM500 2.1 28.1 1.0
SG A:CYS186 2.5 32.1 1.0
C4D A:HEM500 2.9 28.3 1.0
C1D A:HEM500 2.9 29.0 1.0
C1A A:HEM500 3.0 27.5 1.0
C1B A:HEM500 3.0 29.3 1.0
C4A A:HEM500 3.0 28.3 1.0
C4B A:HEM500 3.0 28.1 1.0
C4C A:HEM500 3.0 27.7 1.0
C1C A:HEM500 3.1 27.6 1.0
CHA A:HEM500 3.4 30.0 1.0
CHD A:HEM500 3.4 27.6 1.0
CHB A:HEM500 3.4 28.3 1.0
CHC A:HEM500 3.5 25.9 1.0
CB A:CYS186 3.6 29.9 1.0
NH2 A:ARG700 4.0 31.6 1.0
CA A:CYS186 4.2 29.9 1.0
C3D A:HEM500 4.2 26.6 1.0
C2D A:HEM500 4.2 26.8 1.0
C2A A:HEM500 4.2 30.1 1.0
C3A A:HEM500 4.2 29.1 1.0
C2B A:HEM500 4.2 27.8 1.0
C3C A:HEM500 4.3 27.8 1.0
C2C A:HEM500 4.3 28.9 1.0
C3B A:HEM500 4.3 28.0 1.0
NE1 A:TRP180 4.3 32.2 1.0
CZ A:ARG700 4.4 29.0 1.0
NE A:ARG700 4.8 28.7 1.0
NH1 A:ARG700 4.8 25.2 1.0
N A:GLY188 4.9 31.2 1.0
C A:CYS186 4.9 30.7 1.0
N A:VAL187 4.9 30.9 1.0

Iron binding site 2 out of 2 in 4cul

Go back to Iron Binding Sites List in 4cul
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 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 in Complex with 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:33.9
occ:1.00
 FE B:HEM500 0.0 33.9 1.0
ND B:HEM500 1.9 37.8 1.0
NA B:HEM500 2.0 33.6 1.0
NC B:HEM500 2.1 35.3 1.0
NB B:HEM500 2.1 35.9 1.0
SG B:CYS186 2.3 33.3 1.0
C4D B:HEM500 3.0 36.8 1.0
C1D B:HEM500 3.0 36.5 1.0
C1A B:HEM500 3.0 36.0 1.0
C4A B:HEM500 3.0 35.6 1.0
C4B B:HEM500 3.1 37.2 1.0
C4C B:HEM500 3.1 34.4 1.0
C1C B:HEM500 3.1 34.7 1.0
C1B B:HEM500 3.1 36.2 1.0
CHA B:HEM500 3.4 34.7 1.0
CHD B:HEM500 3.4 35.1 1.0
CHC B:HEM500 3.4 35.0 1.0
CHB B:HEM500 3.5 33.2 1.0
CB B:CYS186 3.5 31.8 1.0
NH2 B:ARG700 3.6 40.4 1.0
C2A B:HEM500 4.2 39.0 1.0
CA B:CYS186 4.2 32.1 1.0
C3A B:HEM500 4.2 36.6 1.0
C3D B:HEM500 4.2 38.5 1.0
C2D B:HEM500 4.2 37.8 1.0
C3C B:HEM500 4.3 36.9 1.0
C2C B:HEM500 4.3 37.6 1.0
CZ B:ARG700 4.3 38.2 1.0
C2B B:HEM500 4.3 36.1 1.0
C3B B:HEM500 4.3 38.1 1.0
NE1 B:TRP180 4.3 34.2 1.0
NH1 B:ARG700 4.9 34.9 1.0
NE B:ARG700 4.9 39.4 1.0
N B:GLY188 4.9 34.0 1.0
C B:CYS186 5.0 30.5 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 00:42:17 2024

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