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Iron in PDB 6xk6: Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine

Enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine

All present enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine:
1.14.14.47;

Protein crystallography data

The structure of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 6xk6 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) 37.53 / 1.84
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.16, 94.33, 61.95, 90, 90, 90
R / Rfree (%) 20.1 / 23.3

Other elements in 6xk6:

The structure of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine 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 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine (pdb code 6xk6). 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 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 6xk6:

Iron binding site 1 out of 1 in 6xk6

Go back to Iron Binding Sites List in 6xk6
Iron binding site 1 out of 1 in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine


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 7-((3- (((2-(Pyridin-2-Yl)Ethyl)Amino)Methyl)Phenoxy)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:21.1
occ:1.00
 FE A:HEM901 0.0 21.1 1.0
ND A:HEM901 1.9 19.7 1.0
NA A:HEM901 2.0 19.5 1.0
NB A:HEM901 2.1 19.4 1.0
NC A:HEM901 2.1 19.0 1.0
SG A:CYS66 2.4 20.4 1.0
C1D A:HEM901 3.0 20.6 1.0
C4D A:HEM901 3.0 21.6 1.0
C4A A:HEM901 3.1 16.8 1.0
C1A A:HEM901 3.1 21.6 1.0
C4B A:HEM901 3.1 20.6 1.0
C4C A:HEM901 3.1 17.5 1.0
C1B A:HEM901 3.1 19.5 1.0
C1C A:HEM901 3.1 17.0 1.0
C04 A:V57902 3.3 20.3 1.0
CB A:CYS66 3.3 20.5 1.0
CHD A:HEM901 3.5 17.9 1.0
CHB A:HEM901 3.5 21.4 1.0
CHA A:HEM901 3.5 20.7 1.0
CHC A:HEM901 3.5 17.2 1.0
C03 A:V57902 3.7 24.8 1.0
C05 A:V57902 3.7 22.9 1.0
CA A:CYS66 4.0 21.2 1.0
C06 A:V57902 4.1 25.3 1.0
C2D A:HEM901 4.2 20.3 1.0
C3D A:HEM901 4.2 20.8 1.0
C3A A:HEM901 4.3 21.9 1.0
C2A A:HEM901 4.3 19.8 1.0
C2C A:HEM901 4.3 19.9 1.0
C2B A:HEM901 4.3 19.4 1.0
NE1 A:TRP60 4.3 22.1 1.0
C3C A:HEM901 4.3 19.8 1.0
C3B A:HEM901 4.3 22.5 1.0
C02 A:V57902 4.4 23.1 1.0
C28 A:V57902 4.4 22.7 1.0
N29 A:V57902 4.7 21.6 1.0
C A:CYS66 4.8 24.2 1.0
N A:GLY68 4.8 21.8 1.0
CD1 A:TRP60 4.9 21.8 1.0
N A:ILE67 5.0 20.4 1.0

Reference:

M.C.Lewis, T.L.Poulos. Selective Anti-Mrsa Inhibitors Targeting Nitric Oxide Synthase To Be Published.
Page generated: Sat Jul 10 15:06:11 2021

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