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Zinc in PDB 3jt8: Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine, PDB code: 3jt8 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) 38.11 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.191, 111.374, 164.666, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.2

Other elements in 3jt8:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine 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 Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine (pdb code 3jt8). 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 Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine, PDB code: 3jt8:

Zinc binding site 1 out of 1 in 3jt8

Go back to Zinc Binding Sites List in 3jt8
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine


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 Complexed with N~5~-{3-[(1-Methylethyl)Sulfanyl]Propanimidoyl}-L-Ornithine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:34.9
occ:1.00
 SG A:CYS326 2.3 44.0 1.0
SG A:CYS331 2.4 36.4 1.0
SG B:CYS331 2.4 37.0 1.0
SG B:CYS326 2.4 40.0 1.0
CB B:CYS331 3.2 40.9 1.0
CB A:CYS331 3.3 39.3 1.0
CB A:CYS326 3.4 48.6 1.0
CB B:CYS326 3.5 46.5 1.0
CA B:CYS331 3.5 41.4 1.0
CA A:CYS331 3.6 41.9 1.0
N A:MET332 4.0 40.6 1.0
N B:MET332 4.0 39.8 1.0
N A:GLY333 4.1 37.4 1.0
C B:CYS331 4.2 40.3 1.0
C A:CYS331 4.2 40.9 1.0
N B:GLY333 4.2 37.0 1.0
CA A:GLY333 4.5 35.5 1.0
CA B:GLY333 4.6 35.8 1.0
CA A:CYS326 4.7 50.9 1.0
N B:CYS331 4.8 43.6 1.0
CA B:CYS326 4.8 47.8 1.0
N A:CYS331 4.9 44.7 1.0
C A:MET332 4.9 38.7 1.0
O B:ILE330 5.0 45.5 1.0

Reference:

J.D.Martell, H.Li, T.Doukov, P.Martasek, L.J.Roman, M.Soltis, T.L.Poulos, R.B.Silverman. Heme-Coordinating Inhibitors of Neuronal Nitric Oxide Synthase. Iron-Thioether Coordination Is Stabilized By Hydrophobic Contacts Without Increased Inhibitor Potency. J.Am.Chem.Soc. V. 132 798 2010.
ISSN: ISSN 0002-7863
PubMed: 20014790
DOI: 10.1021/JA908544F
Page generated: Sat Oct 26 07:31:41 2024

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