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Chlorine in PDB 6xk4: Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine

Enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine

All present enzymatic activity of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)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- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 6xk4 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) 37.06 / 2.13
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.49, 95.05, 62.74, 90, 90, 90
R / Rfree (%) 20.9 / 24.6

Other elements in 6xk4:

The structure of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine (pdb code 6xk4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 6xk4:

Chlorine binding site 1 out of 1 in 6xk4

Go back to Chlorine Binding Sites List in 6xk4
Chlorine binding site 1 out of 1 in the Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nitric Oxide Synthase From Bacillus Subtilis in Complex with 7-((3- (((3-(6-Aminopyridin-2-Yl)Propyl)Amino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:32.0
occ:1.00
 OH A:TYR239 2.9 27.9 1.0
O A:HOH1081 3.0 30.8 1.0
ND2 A:ASN248 3.2 33.7 1.0
NE2 A:GLN129 3.3 29.2 1.0
CE1 A:TYR239 3.5 30.8 1.0
O A:HOH1060 3.6 36.5 1.0
CZ A:TYR239 3.7 26.2 1.0
OD1 A:ASN248 3.8 29.0 1.0
CG A:ASN248 3.9 31.8 1.0
OH A:TYR213 3.9 28.7 1.0
CD A:GLN129 4.2 32.6 1.0
OE1 A:GLN129 4.2 30.0 1.0
CD1 A:TYR239 4.8 29.8 1.0
NE1 A:TRP212 4.8 24.9 1.0
CZ2 A:TRP212 4.9 25.8 1.0
CZ A:TYR213 4.9 30.1 1.0

Reference:

M.C.Lewis, T.L.Poulos. Selective Anti-Mrsa Inhibitors Targeting Nitric Oxide Synthase To Be Published.
Page generated: Mon Jul 29 17:15:17 2024

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