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Zinc in PDB 4c39: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4c39 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) 92.19 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.929, 110.870, 164.439, 90.00, 90.00, 90.00
R / Rfree (%) 18.057 / 22.79

Other elements in 4c39:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine (pdb code 4c39). 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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine, PDB code: 4c39:

Zinc binding site 1 out of 1 in 4c39

Go back to Zinc Binding Sites List in 4c39
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4-Methylpyridin- 2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy)Methyl)-4- Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1717

b:35.9
occ:1.00
 SG A:CYS326 2.3 43.0 1.0
SG A:CYS331 2.4 36.6 1.0
SG B:CYS326 2.4 39.0 1.0
SG B:CYS331 2.5 38.4 1.0
CB A:CYS331 3.2 37.6 1.0
CB B:CYS331 3.3 38.3 1.0
CB A:CYS326 3.3 44.1 1.0
CB B:CYS326 3.5 41.9 1.0
CA A:CYS331 3.5 41.2 1.0
CA B:CYS331 3.6 39.1 1.0
N A:MET332 3.8 40.3 1.0
N A:GLY333 4.0 38.3 1.0
C A:CYS331 4.0 39.9 1.0
N B:MET332 4.1 37.0 1.0
N B:GLY333 4.2 34.2 1.0
C B:CYS331 4.3 38.3 1.0
CA A:GLY333 4.5 34.6 1.0
CA B:GLY333 4.6 34.1 1.0
CA A:CYS326 4.7 47.9 1.0
N A:CYS331 4.8 42.4 1.0
CA B:CYS326 4.8 44.1 1.0
C A:MET332 4.8 38.1 1.0
CA A:MET332 4.9 40.6 1.0
N B:CYS331 4.9 41.8 1.0
O B:ILE330 5.0 48.1 1.0

Reference:

Q.Jing, H.Li, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors. Acs Med.Chem.Lett. V. 5 56 2014.
ISSN: ISSN 1948-5875
PubMed: 24660051
DOI: 10.1021/ML400381S
Page generated: Sat Oct 26 20:22:37 2024

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