Arsenic »
PDB 3n67-3smt »
3nlt »
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
Last articles
Zn in 9JPJZn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
