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Zinc in PDB 3q99: Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine, PDB code: 3q99 was solved by H.Li, T.Doukov, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.26 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.165, 111.422, 164.214, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 23.9

Other elements in 3q99:

The structure of Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)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 in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine (pdb code 3q99). 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 in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine, PDB code: 3q99:

Zinc binding site 1 out of 1 in 3q99

Go back to Zinc Binding Sites List in 3q99
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)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 in the Ferric State in Complex with N~5~-[(3-(Ethylsulfanyl)Propanimidoyl]-L-Ornithine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:29.9
occ:1.00
 SG A:CYS326 2.3 36.0 1.0
SG B:CYS326 2.3 34.3 1.0
SG A:CYS331 2.3 33.1 1.0
SG B:CYS331 2.4 31.4 1.0
CB A:CYS331 3.2 36.4 1.0
CB B:CYS331 3.3 36.6 1.0
CB A:CYS326 3.4 41.5 1.0
CB B:CYS326 3.5 39.8 1.0
CA A:CYS331 3.6 38.3 1.0
CA B:CYS331 3.6 36.5 1.0
N A:MET332 4.0 38.0 1.0
N B:MET332 4.0 35.4 1.0
N A:GLY333 4.0 35.3 1.0
C A:CYS331 4.1 37.6 1.0
N B:GLY333 4.2 33.1 1.0
C B:CYS331 4.2 35.9 1.0
CA A:GLY333 4.5 33.8 1.0
CA B:GLY333 4.6 31.4 1.0
CA A:CYS326 4.7 43.4 1.0
N B:CYS331 4.8 39.4 1.0
N A:CYS331 4.8 40.0 1.0
CA B:CYS326 4.8 41.2 1.0
O B:ILE330 4.9 40.2 1.0
C A:MET332 4.9 36.5 1.0
C B:MET332 5.0 33.8 1.0

Reference:

T.Doukov, H.Li, A.Sharma, J.D.Martell, S.M.Soltis, R.B.Silverman, T.L.Poulos. Temperature-Dependent Spin Crossover in Neuronal Nitric Oxide Synthase Bound with the Heme-Coordinating Thioether Inhibitors. J.Am.Chem.Soc. V. 133 8326 2011.
ISSN: ISSN 0002-7863
PubMed: 21534614
DOI: 10.1021/JA201466V
Page generated: Sat Oct 26 11:56:18 2024

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