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Iron in PDB 5g6b: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)Quinolin-2-Amine

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

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

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)Quinolin-2-Amine, PDB code: 5g6b 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) 37.60 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.640, 94.600, 61.960, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 19.7

Other elements in 5g6b:

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

Fluorine (F) 2 atoms
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)Quinolin-2-Amine (pdb code 5g6b). 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 Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)Quinolin-2-Amine, PDB code: 5g6b:

Iron binding site 1 out of 1 in 5g6b

Go back to Iron Binding Sites List in 5g6b
Iron binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)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 Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with Two Molecules of 7-((3-Fluorophenethylamino)Ethyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:10.5
occ:1.00
FE A:HEM901 0.0 10.5 1.0
ND A:HEM901 1.9 8.8 1.0
NA A:HEM901 2.0 9.3 1.0
NC A:HEM901 2.1 9.0 1.0
NB A:HEM901 2.1 11.6 1.0
SG A:CYS66 2.4 10.8 1.0
C1D A:HEM901 2.9 7.9 1.0
C4D A:HEM901 3.0 10.6 1.0
C1A A:HEM901 3.1 12.0 1.0
C4C A:HEM901 3.1 8.7 1.0
C4B A:HEM901 3.1 11.4 1.0
C4A A:HEM901 3.1 7.6 1.0
C1B A:HEM901 3.1 9.4 1.0
C1C A:HEM901 3.1 10.9 1.0
C04 A:M48904 3.3 10.3 1.0
CB A:CYS66 3.4 10.6 1.0
CHD A:HEM901 3.4 9.2 1.0
CHA A:HEM901 3.5 10.8 1.0
CHB A:HEM901 3.5 8.7 1.0
CHC A:HEM901 3.5 10.5 1.0
C03 A:M48904 3.6 11.3 1.0
C05 A:M48904 3.8 10.2 1.0
CA A:CYS66 4.1 9.3 1.0
C2D A:HEM901 4.2 10.4 1.0
C06 A:M48904 4.3 13.1 1.0
C3D A:HEM901 4.3 11.1 1.0
C2A A:HEM901 4.3 11.5 1.0
C3A A:HEM901 4.3 10.4 1.0
C02 A:M48904 4.3 10.9 1.0
C3C A:HEM901 4.3 9.9 1.0
C2C A:HEM901 4.3 11.9 1.0
C2B A:HEM901 4.3 10.0 1.0
C3B A:HEM901 4.4 10.5 1.0
NE1 A:TRP60 4.4 10.3 1.0
C10 A:M48904 4.4 11.5 1.0
N01 A:M48904 4.6 9.5 1.0
N A:GLY68 4.9 10.2 1.0
C A:CYS66 4.9 9.4 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: Sun Dec 13 16:02:09 2020

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