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Arsenic in PDB 3nlt: Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride
Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride
All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride:
1.14.13.39;
1.14.13.39;
Protein crystallography data
The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride, PDB code: 3nlt
was solved by
F.Xue,
H.Li,
J.Fang,
S.L.Delker,
T.L.Poulos,
R.B.Silverman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 36.85 / 2.74 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 57.910, 106.905, 157.024, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.6 / 26.2 |
Other elements in 3nlt:
The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride also contains other interesting chemical elements:
| Fluorine | (F) | 4 atoms |
| Iron | (Fe) | 2 atoms |
| Zinc | (Zn) | 1 atom |
Arsenic Binding Sites:
The binding sites of Arsenic atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride
(pdb code 3nlt). 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 Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride, PDB code: 3nlt:
Jump to Arsenic binding site number: 1; 2;
In total 2 binding sites of Arsenic where determined in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride, PDB code: 3nlt:
Jump to Arsenic binding site number: 1; 2;
Arsenic binding site 1 out of 2 in 3nlt
Go back to
Arsenic Binding Sites List in 3nlt
Arsenic binding site 1 out
of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Arsenic with other atoms in the As binding
site number 1 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride within 5.0Å range:
|
Arsenic binding site 2 out of 2 in 3nlt
Go back to
Arsenic Binding Sites List in 3nlt
Arsenic binding site 2 out
of 2 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Arsenic with other atoms in the As binding
site number 2 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-{(3'S,4'S)-4'-[(6"-Amino-4"-Methylpyridin-2"-Yl) Methyl]Pyrrolidin-3'-Yl}- N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride within 5.0Å range:
|
Reference:
F.Xue,
H.Li,
S.L.Delker,
J.Fang,
P.Martasek,
L.J.Roman,
T.L.Poulos,
R.B.Silverman.
Potent, Highly Selective, and Orally Bioavailable Gem-Difluorinated Monocationic Inhibitors of Neuronal Nitric Oxide Synthase. J.Am.Chem.Soc. V. 132 14229 2010.
ISSN: ISSN 0002-7863
PubMed: 20843082
DOI: 10.1021/JA106175Q
Page generated: Wed Jul 10 11:50:49 2024
ISSN: ISSN 0002-7863
PubMed: 20843082
DOI: 10.1021/JA106175Q
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