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Iron in PDB 7s3z: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine, PDB code: 7s3z was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.19 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.173, 111.893, 164.775, 90, 90, 90
R / Rfree (%) 19.6 / 23.5

Other elements in 7s3z:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine (pdb code 7s3z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine, PDB code: 7s3z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7s3z

Go back to Iron Binding Sites List in 7s3z
Iron binding site 1 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:34.6
occ:1.00
 FE A:HEM801 0.0 34.6 1.0
ND A:HEM801 2.0 28.3 1.0
NB A:HEM801 2.1 34.6 1.0
NC A:HEM801 2.1 31.6 1.0
NA A:HEM801 2.2 36.4 1.0
SG A:CYS415 2.4 37.3 1.0
C1D A:HEM801 3.0 40.4 1.0
C4D A:HEM801 3.0 40.7 1.0
C4B A:HEM801 3.1 43.0 1.0
C1C A:HEM801 3.1 32.1 1.0
C1B A:HEM801 3.1 39.8 1.0
C4C A:HEM801 3.1 33.0 1.0
C1A A:HEM801 3.2 32.7 1.0
C4A A:HEM801 3.2 38.0 1.0
CB A:CYS415 3.4 31.6 1.0
CHD A:HEM801 3.4 39.8 1.0
CHC A:HEM801 3.4 36.2 1.0
CHA A:HEM801 3.5 33.3 1.0
CHB A:HEM801 3.5 37.3 1.0
C22 A:V0P803 3.5 41.7 1.0
C23 A:V0P803 3.6 44.7 1.0
C21 A:V0P803 3.7 51.6 1.0
C28 A:V0P803 4.1 41.8 1.0
CA A:CYS415 4.1 31.9 1.0
C3D A:HEM801 4.2 36.8 1.0
C2D A:HEM801 4.2 38.1 1.0
C24 A:V0P803 4.2 47.9 1.0
C3B A:HEM801 4.3 37.5 1.0
C2B A:HEM801 4.3 37.1 1.0
C20 A:V0P803 4.3 51.8 1.0
C3C A:HEM801 4.4 36.8 1.0
C2C A:HEM801 4.4 37.8 1.0
C2A A:HEM801 4.4 46.0 1.0
C3A A:HEM801 4.4 39.7 1.0
NE1 A:TRP409 4.4 36.9 1.0
N27 A:V0P803 4.6 40.9 1.0
C25 A:V0P803 4.6 39.8 1.0
C29 A:V0P803 4.7 43.9 1.0
N A:GLY417 4.8 35.8 1.0
C19 A:V0P803 4.8 51.0 1.0
C A:CYS415 4.9 28.9 1.0

Iron binding site 2 out of 2 in 7s3z

Go back to Iron Binding Sites List in 7s3z
Iron binding site 2 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with N2-((3-((2-Aminoquinolin-7-Yl)Methoxy)Phenoxy)Methyl)Pyridine-2, 6-Diamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:33.6
occ:1.00
 FE B:HEM801 0.0 33.6 1.0
ND B:HEM801 2.0 29.3 1.0
NB B:HEM801 2.0 32.6 1.0
NC B:HEM801 2.1 31.9 1.0
NA B:HEM801 2.1 32.7 1.0
SG B:CYS415 2.4 33.9 1.0
C1D B:HEM801 3.0 40.8 1.0
C4D B:HEM801 3.0 38.5 1.0
C4B B:HEM801 3.1 43.7 1.0
C1B B:HEM801 3.1 42.2 1.0
C1A B:HEM801 3.1 38.0 1.0
C1C B:HEM801 3.1 32.5 1.0
C4C B:HEM801 3.1 35.6 1.0
C4A B:HEM801 3.1 34.7 1.0
CB B:CYS415 3.4 26.5 1.0
CHA B:HEM801 3.4 35.3 1.0
CHD B:HEM801 3.4 35.7 1.0
CHC B:HEM801 3.5 34.9 1.0
CHB B:HEM801 3.5 35.2 1.0
C23 B:V0P803 3.6 42.3 1.0
C22 B:V0P803 3.6 43.0 1.0
C21 B:V0P803 3.9 54.8 1.0
CA B:CYS415 4.1 26.2 1.0
C24 B:V0P803 4.1 48.3 1.0
C28 B:V0P803 4.2 37.0 1.0
C2D B:HEM801 4.2 35.5 1.0
C3D B:HEM801 4.2 38.5 1.0
C3B B:HEM801 4.3 38.9 1.0
C2B B:HEM801 4.3 38.1 1.0
C2A B:HEM801 4.3 48.0 1.0
C3A B:HEM801 4.4 40.7 1.0
C2C B:HEM801 4.4 29.8 1.0
C3C B:HEM801 4.4 28.1 1.0
NE1 B:TRP409 4.5 36.4 1.0
C20 B:V0P803 4.6 54.8 1.0
C25 B:V0P803 4.6 42.0 1.0
N27 B:V0P803 4.6 38.1 1.0
N B:GLY417 4.8 38.0 1.0
C29 B:V0P803 4.8 46.5 1.0
C B:CYS415 4.8 30.0 1.0
N B:VAL416 5.0 35.1 1.0

Reference:

M.C.Lewis, P.M.Weerawarna, H.Li, V.Murarka, R.B.Silverman, T.L.Poulos. Selective Anti-Mrsa Inhibitors Targeting Bacterial Nitric Oxide Synthase To Be Published.
Page generated: Fri Aug 9 00:19:35 2024

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