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Arsenic in PDB 4cun: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione, PDB code: 4cun 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) 87.90 / 2.48
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.865, 106.177, 156.735, 90.00, 90.00, 90.00
R / Rfree (%) 18.367 / 24.223

Other elements in 4cun:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione (pdb code 4cun). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione, PDB code: 4cun:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4cun

Go back to Arsenic Binding Sites List in 4cun
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:0.8
occ:1.00
 AS A:CAS384 0.0 0.8 1.0
CE1 A:CAS384 2.0 76.8 1.0
CE2 A:CAS384 2.0 90.7 1.0
SG A:CAS384 2.8 81.4 1.0
CB A:CAS384 3.4 74.2 1.0
CA A:CAS384 4.2 70.1 1.0
CE3 A:TRP324 4.4 68.5 1.0
CD2 A:TRP324 4.5 68.9 1.0
CB A:TRP324 4.5 71.0 1.0
CG A:TRP324 4.6 71.0 1.0
CD1 A:LEU328 4.7 62.4 1.0

Arsenic binding site 2 out of 2 in 4cun

Go back to Arsenic Binding Sites List in 4cun
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-8,9,9A,10- Tetrahydrobenzo[G]Pteridine-4,6(3H,7H)-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:0.2
occ:1.00
 AS B:CAS384 0.0 0.2 1.0
CE1 B:CAS384 2.0 0.5 1.0
CE2 B:CAS384 2.0 0.7 1.0
SG B:CAS384 2.8 99.5 1.0
CB B:CAS384 3.5 96.7 1.0
CA B:CAS384 3.9 90.4 1.0
CG B:TRP324 4.7 93.0 1.0
CB B:TRP324 4.7 93.9 1.0
CD2 B:TRP324 4.7 89.1 1.0
CE3 B:TRP324 4.8 86.7 1.0
O B:CAS384 4.9 91.7 1.0
C B:CAS384 4.9 88.5 1.0
N B:CAS384 4.9 84.3 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: Sat Dec 12 01:42:48 2020

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