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Fluorine in PDB 5g69: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine, PDB code: 5g69 was solved by J.K.Holden, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.88 / 2.02
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.750, 94.810, 62.990, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 20.3

Other elements in 5g69:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine also contains other interesting chemical elements:

Iron (Fe) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine (pdb code 5g69). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine, PDB code: 5g69:

Fluorine binding site 1 out of 1 in 5g69

Go back to Fluorine Binding Sites List in 5g69
Fluorine binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-(2-(3-Fluorobenzylamino)Ethyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F904

b:43.2
occ:1.00
 F27 A:M7K904 0.0 43.2 1.0
C23 A:M7K904 1.3 37.9 1.0
C22 A:M7K904 2.4 35.5 1.0
C24 A:M7K904 2.4 37.1 1.0
O A:HOH2061 3.0 53.9 1.0
CB A:ALA147 3.5 19.8 1.0
C21 A:M7K904 3.6 38.1 1.0
C25 A:M7K904 3.6 36.2 1.0
NH1 A:ARG254 3.7 17.2 1.0
O A:HOH2197 3.8 20.7 1.0
CD A:ARG254 4.0 22.7 1.0
C26 A:M7K904 4.1 38.4 1.0
CZ A:ARG254 4.1 20.8 1.0
O A:HOH2027 4.2 60.7 1.0
NE A:ARG254 4.2 17.7 1.0
NH2 A:ARG132 4.5 35.9 1.0
O A:HOH2206 4.6 38.5 1.0
O A:HOH2207 4.7 27.0 1.0
CA A:ALA147 4.7 23.8 1.0
O A:HOH2108 4.8 37.5 1.0
C14 A:M7K904 4.9 36.5 1.0
O A:HOH2116 4.9 35.9 1.0
NH2 A:ARG254 4.9 20.7 1.0

Reference:

J.K.Holden, M.C.Lewis, M.A.Cinelli, Z.Abdullatif, A.V.Pensa, R.B.Silverman, T.L.Poulos. Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry V. 55 5587 2016.
ISSN: ISSN 1520-4995
PubMed: 27607918
DOI: 10.1021/ACS.BIOCHEM.6B00786
Page generated: Thu Aug 1 09:38:54 2024

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