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

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

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-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 (9AS)-2-Amino-9A-Methyl-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One, PDB code: 4cum 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) 88.04 / 2.33
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.011, 106.493, 156.480, 90.00, 90.00, 90.00
R / Rfree (%) 16.951 / 22.703

Other elements in 4cum:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with (9AS)-2-Amino-9A-Methyl-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One 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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One (pdb code 4cum). 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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One, PDB code: 4cum:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4cum

Go back to Arsenic Binding Sites List in 4cum
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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One


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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:93.6
occ:1.00
 AS A:CAS384 0.0 93.6 1.0
CE1 A:CAS384 2.0 75.2 1.0
CE2 A:CAS384 2.0 82.6 1.0
SG A:CAS384 2.8 57.4 1.0
CB A:CAS384 3.2 51.5 1.0
CA A:CAS384 3.9 49.8 1.0
CE3 A:TRP324 4.5 44.4 1.0
CD2 A:TRP324 4.5 45.7 1.0
CG A:TRP324 4.6 47.1 1.0
CB A:TRP324 4.6 47.8 1.0
N A:CAS384 4.9 49.1 1.0
C A:CAS384 4.9 50.3 1.0
O A:CAS384 5.0 49.2 1.0

Arsenic binding site 2 out of 2 in 4cum

Go back to Arsenic Binding Sites List in 4cum
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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One


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-6,7,8,9,9A, 10-Hexahydrobenzo[G]Pteridin-4(3H)-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:90.2
occ:1.00
 AS B:CAS384 0.0 90.2 1.0
CE2 B:CAS384 2.0 96.2 1.0
CE1 B:CAS384 2.0 92.7 1.0
SG B:CAS384 2.5 70.7 1.0
CB B:CAS384 3.2 63.1 1.0
CA B:CAS384 3.8 61.3 1.0
CE3 B:TRP324 4.4 62.4 1.0
CB B:TRP324 4.5 68.9 1.0
CD2 B:TRP324 4.5 63.8 1.0
CG B:TRP324 4.6 66.9 1.0
N B:CAS384 4.7 58.9 1.0
C B:CAS384 4.9 61.2 1.0
CD2 B:LEU328 4.9 66.6 1.0
O B:CAS384 5.0 60.2 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 01:42:47 2020

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