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Iron in PDB 2hx3: Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine
Enzymatic activity of Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine
All present enzymatic activity of Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine:
1.14.13.39;
1.14.13.39;
Protein crystallography data
The structure of Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine, PDB code: 2hx3
was solved by
J.Igarashi,
H.Li,
T.L.Poulos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 49.50 / 2.00 |
| Space group | P 21 21 21 |
| Cell size a, b, c (Å), α, β, γ (°) | 51.910, 111.660, 164.210, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 21.7 / 25.8 |
Other elements in 2hx3:
The structure of Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine also contains other interesting chemical elements:
| Zinc | (Zn) | 1 atom |
Iron Binding Sites:
The binding sites of Iron atom in the Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine
(pdb code 2hx3). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine, PDB code: 2hx3:
Jump to Iron binding site number: 1; 2;
In total 2 binding sites of Iron where determined in the Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine, PDB code: 2hx3:
Jump to Iron binding site number: 1; 2;
Iron binding site 1 out of 2 in 2hx3
Go back to
Iron Binding Sites List in 2hx3
Iron binding site 1 out
of 2 in the Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine
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 Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine within 5.0Å range:
|
Iron binding site 2 out of 2 in 2hx3
Go back to
Iron Binding Sites List in 2hx3
Iron binding site 2 out
of 2 in the Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine
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 Rat Nnos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2-Aminoethyl)- Hydroxyamino]-Pentyl}-N'-Nitroguanidine within 5.0Å range:
|
Reference:
J.Seo,
J.Igarashi,
H.Li,
P.Martasek,
L.J.Roman,
T.L.Poulos,
R.B.Silverman.
Structure-Based Design and Synthesis of N(Omega)-Nitro-L-Arginine-Containing Peptidomimetics As Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem. V. 50 2089 2007.
ISSN: ISSN 0022-2623
PubMed: 17425297
DOI: 10.1021/JM061305C
Page generated: Sun Dec 13 14:46:34 2020
ISSN: ISSN 0022-2623
PubMed: 17425297
DOI: 10.1021/JM061305C
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