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Iron in PDB 4d7i: Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine, PDB code: 4d7i 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) 48.94 / 1.96
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.560, 95.050, 61.620, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.5

Other elements in 4d7i:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine also contains other interesting chemical elements:

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

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine (pdb code 4d7i). 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 I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine, PDB code: 4d7i:

Iron binding site 1 out of 1 in 4d7i

Go back to Iron Binding Sites List in 4d7i
Iron binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 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 I218V in Complex with 6-(4-(((3-Fluorophenethyl)Amino)Methyl)Phenyl)-4-Methylpyridin- 2- Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:27.6
occ:1.00
 FE A:HEM901 0.0 27.6 1.0
ND A:HEM901 1.9 28.4 1.0
NA A:HEM901 2.0 27.9 1.0
NC A:HEM901 2.1 27.1 1.0
NB A:HEM901 2.1 23.3 1.0
SG A:CYS66 2.5 31.1 1.0
C1D A:HEM901 2.9 29.0 1.0
C4D A:HEM901 2.9 27.8 1.0
C1A A:HEM901 3.0 28.3 1.0
C4C A:HEM901 3.0 27.8 1.0
C4A A:HEM901 3.1 20.9 1.0
C4B A:HEM901 3.1 25.8 1.0
C1C A:HEM901 3.1 27.2 1.0
C1B A:HEM901 3.1 27.7 1.0
CHD A:HEM901 3.4 31.9 1.0
CB A:CYS66 3.4 25.6 1.0
CHA A:HEM901 3.4 31.3 1.0
CHC A:HEM901 3.5 25.3 1.0
CHB A:HEM901 3.5 19.6 1.0
C04 A:0GD904 3.9 31.5 1.0
C03 A:0GD904 4.1 31.1 1.0
C08 A:0GD904 4.2 24.8 1.0
C05 A:0GD904 4.2 33.8 1.0
C2D A:HEM901 4.2 22.7 1.0
C3D A:HEM901 4.2 29.9 1.0
CA A:CYS66 4.2 25.6 1.0
C2A A:HEM901 4.2 24.1 1.0
C3A A:HEM901 4.2 29.5 1.0
C3C A:HEM901 4.3 28.0 1.0
C2C A:HEM901 4.3 29.6 1.0
C2B A:HEM901 4.3 25.7 1.0
C3B A:HEM901 4.4 28.4 1.0
NE1 A:TRP60 4.5 29.1 1.0
C02 A:0GD904 4.5 31.4 1.0
C06 A:0GD904 4.7 39.1 1.0
N01 A:0GD904 4.8 29.5 1.0
N A:GLY68 4.9 27.7 1.0
C A:CYS66 5.0 31.9 1.0

Reference:

J.K.Holden, S.Kang, F.C.Beasley, M.A.Cinelli, H.Li, S.G.Roy, D.Dejam, A.L.Edinger, V.Nizet, R.B.Silverman, T.L.Poulos. Nitric Oxide Synthase As A Target For Methicillin-Resistant Staphylococcus Aureus Chem.Biol. V. 22 785 2015.
ISSN: ISSN 1074-5521
PubMed: 26091171
DOI: 10.1016/J.CHEMBIOL.2015.05.013
Page generated: Mon Aug 5 01:11:37 2024

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