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Arsenic in PDB 4luw: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine, PDB code: 4luw was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.07 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.114, 106.557, 156.852, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.3

Other elements in 4luw:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine 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 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine (pdb code 4luw). 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 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine, PDB code: 4luw:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4luw

Go back to Arsenic Binding Sites List in 4luw
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine


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 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:80.2
occ:1.00
 AS A:CAS384 0.0 80.2 1.0
CE2 A:CAS384 2.0 80.3 1.0
CE1 A:CAS384 2.0 78.6 1.0
SG A:CAS384 2.8 45.3 1.0
CB A:CAS384 3.3 42.2 1.0
CA A:CAS384 3.8 42.9 1.0
CE3 A:TRP324 4.5 38.0 1.0
CD2 A:TRP324 4.7 38.8 1.0
CG A:TRP324 4.8 41.3 1.0
CB A:TRP324 4.8 43.1 1.0
C A:CAS384 4.8 42.5 1.0
O A:CAS384 4.8 42.8 1.0
N A:CAS384 4.8 41.9 1.0

Arsenic binding site 2 out of 2 in 4luw

Go back to Arsenic Binding Sites List in 4luw
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine


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 6-((((3R,5S)-5-(((6-Amino-4-Methylpyridin-2-Yl)Methoxy) Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:71.4
occ:1.00
 AS B:CAS384 0.0 71.4 1.0
CE1 B:CAS384 2.0 72.3 1.0
CE2 B:CAS384 2.0 70.9 1.0
SG B:CAS384 2.4 56.3 1.0
CB B:CAS384 3.5 55.0 1.0
CA B:CAS384 3.9 55.5 1.0
N B:CAS384 4.8 54.2 1.0
CB B:TRP324 4.8 62.4 1.0
CE3 B:TRP324 4.9 57.7 1.0
CG B:TRP324 4.9 60.9 1.0
CD2 B:TRP324 5.0 60.0 1.0

Reference:

J.K.Holden, H.Li, Q.Jing, S.Kang, J.Richo, R.B.Silverman, T.L.Poulos. Structural and Biological Studies on Bacterial Nitric Oxide Synthase Inhibitors. Proc.Natl.Acad.Sci.Usa V. 110 18127 2013.
ISSN: ISSN 0027-8424
PubMed: 24145412
DOI: 10.1073/PNAS.1314080110
Page generated: Wed Jul 10 12:15:31 2024

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