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Iron in PDB 6xcx: Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine

Enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine

All present enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine:
1.14.14.47;

Protein crystallography data

The structure of Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine, PDB code: 6xcx was solved by M.C.Lewis, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.65 / 2.25
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.67, 94.98, 61.79, 90, 90, 90
R / Rfree (%) 17.9 / 22

Other elements in 6xcx:

The structure of Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine (pdb code 6xcx). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine, PDB code: 6xcx:

Iron binding site 1 out of 1 in 6xcx

Go back to Iron Binding Sites List in 6xcx
Iron binding site 1 out of 1 in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Nitric Oxide Synthase From Bacillus Subtilis in Complex with N2-((3- ((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2,6-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:28.8
occ:1.00
 FE A:HEC901 0.0 28.8 1.0
ND A:HEC901 1.9 25.6 1.0
NA A:HEC901 2.0 26.4 1.0
NC A:HEC901 2.1 26.6 1.0
NB A:HEC901 2.1 24.2 1.0
SG A:CYS66 2.6 28.9 1.0
C1D A:HEC901 2.9 26.9 1.0
C4D A:HEC901 2.9 27.5 1.0
C1A A:HEC901 3.0 29.8 1.0
C4C A:HEC901 3.0 25.5 1.0
C4B A:HEC901 3.1 26.0 1.0
C4A A:HEC901 3.1 29.5 1.0
C1C A:HEC901 3.1 24.3 1.0
C1B A:HEC901 3.1 26.9 1.0
C23 A:V0P907 3.2 28.6 1.0
CHD A:HEC901 3.4 24.1 1.0
CHA A:HEC901 3.4 27.7 1.0
C24 A:V0P907 3.4 29.5 1.0
CB A:CYS66 3.4 27.6 1.0
CHC A:HEC901 3.5 21.8 1.0
CHB A:HEC901 3.5 22.3 1.0
C22 A:V0P907 3.9 31.4 1.0
C2D A:HEC901 4.1 23.9 1.0
C3D A:HEC901 4.2 26.7 1.0
CA A:CYS66 4.2 27.2 1.0
C2A A:HEC901 4.2 28.5 1.0
C25 A:V0P907 4.2 26.9 1.0
C3A A:HEC901 4.2 30.3 1.0
C3C A:HEC901 4.3 25.7 1.0
C2C A:HEC901 4.3 25.6 1.0
C2B A:HEC901 4.3 24.9 1.0
C3B A:HEC901 4.4 25.4 1.0
NE1 A:TRP60 4.4 28.3 1.0
C21 A:V0P907 4.5 33.1 1.0
C28 A:V0P907 4.5 34.7 1.0
N27 A:V0P907 4.7 32.0 1.0
C A:CYS66 5.0 27.6 1.0

Reference:

M.C.Lewis, T.L.Poulos. Selective Anti-Mrsa Inhibitors Targeting Nitric Oxide Synthase To Be Published.
Page generated: Wed Aug 7 15:20:52 2024

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