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Arsenic in PDB 4cwz: Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cwz 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) 42.66 / 2.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.818, 106.405, 156.723, 90.00, 90.00, 90.00
R / Rfree (%) 15.409 / 19.696

Other elements in 4cwz:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine (pdb code 4cwz). 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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cwz:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 4cwz

Go back to Arsenic Binding Sites List in 4cwz
Arsenic binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:54.8
occ:1.00
 AS A:CAS384 0.0 54.8 1.0
CE2 A:CAS384 2.0 48.3 1.0
CE1 A:CAS384 2.0 57.9 1.0
SG A:CAS384 2.5 37.3 1.0
CB A:CAS384 3.1 34.9 1.0
CA A:CAS384 3.7 34.5 1.0
CE3 A:TRP324 4.1 32.3 1.0
CD2 A:TRP324 4.2 32.8 1.0
CG A:TRP324 4.3 33.0 1.0
CB A:TRP324 4.4 34.1 1.0
N A:CAS384 4.7 34.3 1.0
C A:CAS384 4.8 33.8 1.0
CD1 A:LEU328 4.8 40.0 1.0
CZ3 A:TRP324 4.8 32.1 1.0
O A:CAS384 4.9 34.9 1.0
CE2 A:TRP324 5.0 32.8 1.0

Arsenic binding site 2 out of 2 in 4cwz

Go back to Arsenic Binding Sites List in 4cwz
Arsenic binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:52.0
occ:1.00
 AS B:CAS384 0.0 52.0 1.0
CE2 B:CAS384 2.0 52.0 1.0
CE1 B:CAS384 2.0 51.5 1.0
SG B:CAS384 2.4 47.8 1.0
CB B:CAS384 3.1 44.9 1.0
CA B:CAS384 3.7 45.7 1.0
CB B:TRP324 4.2 48.5 1.0
CE3 B:TRP324 4.3 45.0 1.0
CD2 B:TRP324 4.4 47.1 1.0
CG B:TRP324 4.4 47.8 1.0
N B:CAS384 4.6 45.7 1.0
C B:CAS384 4.8 44.6 1.0
CD2 B:LEU328 4.9 49.5 1.0
O B:CAS384 4.9 45.6 1.0

Reference:

H.Li, J.Jamal, S.L.Delker, C.Plaza, H.Ji, Q.Jing, H.Huang, S.Kang, R.B.Silverman, T.L.Poulos. Mobility of A Conserved Tyrosine Residue Controls Isoform- Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry V. 53 5272 2014.
ISSN: ISSN 0006-2960
PubMed: 25089924
DOI: 10.1021/BI500561H
Page generated: Wed Jul 10 12:03:29 2024

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