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Zinc in PDB 4k5g: Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane, PDB code: 4k5g 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) 44.06 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.128, 110.733, 164.376, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 21.9

Other elements in 4k5g:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane (pdb code 4k5g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane, PDB code: 4k5g:

Zinc binding site 1 out of 1 in 4k5g

Go back to Zinc Binding Sites List in 4k5g
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Neuronal Nitric Oxide Synthase Heme Domain in Complex with ((2S, 3S)-1,3-Bis((6-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-4- Methylpyridin-2-Yl)Methoxy)-2-Aminobutane within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn805

b:29.2
occ:1.00
 SG A:CYS331 2.3 30.2 1.0
SG A:CYS326 2.3 33.5 1.0
SG B:CYS326 2.4 32.5 1.0
SG B:CYS331 2.4 30.5 1.0
CB B:CYS331 3.3 32.4 1.0
CB A:CYS331 3.3 30.4 1.0
CB A:CYS326 3.4 36.5 1.0
CB B:CYS326 3.4 35.9 1.0
CA A:CYS331 3.5 31.9 1.0
CA B:CYS331 3.6 32.8 1.0
N A:MET332 3.9 30.9 1.0
N B:MET332 4.0 31.6 1.0
N A:GLY333 4.1 30.9 1.0
C A:CYS331 4.1 30.9 1.0
N B:GLY333 4.2 30.0 1.0
C B:CYS331 4.2 32.4 1.0
CA A:GLY333 4.6 29.6 1.0
CA B:GLY333 4.6 29.9 1.0
CA A:CYS326 4.7 38.4 1.0
CA B:CYS326 4.8 37.5 1.0
N A:CYS331 4.8 33.8 1.0
N B:CYS331 4.9 35.1 1.0
C A:MET332 4.9 31.7 1.0
O B:ILE330 5.0 39.1 1.0

Reference:

Q.Jing, H.Li, G.Chreifi, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Chiral Linkers to Improve Selectivity of Double-Headed Neuronal Nitric Oxide Synthase Inhibitors. Bioorg.Med.Chem.Lett. V. 23 5674 2013.
ISSN: ISSN 0960-894X
PubMed: 23993333
DOI: 10.1016/J.BMCL.2013.08.034
Page generated: Sun Oct 27 01:43:01 2024

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