Iron »
PDB 7tqh-7ttp »
7tsm »
Iron in PDB 7tsm: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride:
1.14.13.39;
1.14.13.39;
Protein crystallography data
The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride, PDB code: 7tsm
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) | 39.10 / 1.85 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 59.678, 153.119, 108.794, 90, 90.66, 90 |
| R / Rfree (%) | 19.9 / 23.7 |
Other elements in 7tsm:
The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
| Chlorine | (Cl) | 4 atoms |
| Gadolinium | (Gd) | 4 atoms |
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
(pdb code 7tsm). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride, PDB code: 7tsm:
Jump to Iron binding site number: 1; 2; 3; 4;
In total 4 binding sites of Iron where determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride, PDB code: 7tsm:
Jump to Iron binding site number: 1; 2; 3; 4;
Iron binding site 1 out of 4 in 7tsm
Go back to
Iron Binding Sites List in 7tsm
Iron binding site 1 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride within 5.0Å range:
|
Iron binding site 2 out of 4 in 7tsm
Go back to
Iron Binding Sites List in 7tsm
Iron binding site 2 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride within 5.0Å range:
|
Iron binding site 3 out of 4 in 7tsm
Go back to
Iron Binding Sites List in 7tsm
Iron binding site 3 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride within 5.0Å range:
|
Iron binding site 4 out of 4 in 7tsm
Go back to
Iron Binding Sites List in 7tsm
Iron binding site 4 out
of 4 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 4-Methyl-6-(3-(4-Methylpiperazin-1-Yl)Prop-1-Yn-1-Yl) Pyridin-2-Amine Bishydrochloride within 5.0Å range:
|
Reference:
D.Vasu,
H.Li,
C.D.Hardy,
T.L.Poulos,
R.B.Silverman.
2-Aminopyridines with A Shortened Amino Sidechain As Potent, Selective, and Highly Permeable Human Neuronal Nitric Oxide Synthase Inhibitors. Bioorg.Med.Chem. V. 69 16878 2022.
ISSN: ESSN 1464-3391
PubMed: 35772285
DOI: 10.1016/J.BMC.2022.116878
Page generated: Fri Aug 9 02:30:08 2024
ISSN: ESSN 1464-3391
PubMed: 35772285
DOI: 10.1016/J.BMC.2022.116878
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
