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Atomistry » Iron » PDB 4uh1-4ur1 » 4upo | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Iron » PDB 4uh1-4ur1 » 4upo » |
Iron in PDB 4upo: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-CarboximidamideEnzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide
All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide:
1.14.13.39; Protein crystallography data
The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide, PDB code: 4upo
was solved by
H.Li,
T.L.Poulos,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 4upo:
The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide
(pdb code 4upo). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide, PDB code: 4upo: Jump to Iron binding site number: 1; 2; Iron binding site 1 out of 2 in 4upoGo back to Iron Binding Sites List in 4upo
Iron binding site 1 out
of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide
Mono view Stereo pair view
Iron binding site 2 out of 2 in 4upoGo back to Iron Binding Sites List in 4upo
Iron binding site 2 out
of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-Imino(Thiophen- 2-Yl)Methyl]Amino}Benzyl)Oxy]Methyl}Pyrrolidin-3-Yl]Oxy} Methyl)Phenyl]Thiophene-2-Carboximidamide
Mono view Stereo pair view
Reference:
Q.Jing,
H.Li,
L.J.Roman,
P.Martasek,
T.L.Poulos,
R.B.Silverman.
Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase. Bioorg.Med.Chem.Lett. V. 24 4504 2014.
Page generated: Sun Dec 13 15:49:38 2020
ISSN: ISSN 0960-894X PubMed: 25149509 DOI: 10.1016/J.BMCL.2014.07.079 |
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