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Zinc in PDB 3jta: Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine

Enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine

All present enzymatic activity of Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine, PDB code: 3jta 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) 41.21 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.837, 111.501, 164.354, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.5

Other elements in 3jta:

The structure of Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-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 in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine (pdb code 3jta). 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 the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine, PDB code: 3jta:

Zinc binding site 1 out of 1 in 3jta

Go back to Zinc Binding Sites List in 3jta
Zinc binding site 1 out of 1 in the Structure of Neuronal Nitric Oxide Synthase Heme Domain in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-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 in the Ferrous State Complexed with N~5~-[4-(Methylsulfanyl)Butanimidoyl]-L- Ornithine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:55.1
occ:1.00
 SG A:CYS326 2.3 65.8 1.0
SG A:CYS331 2.4 60.6 1.0
SG B:CYS326 2.4 66.7 1.0
SG B:CYS331 2.5 57.5 1.0
CB B:CYS331 3.2 61.3 1.0
CB A:CYS331 3.3 61.5 1.0
CB A:CYS326 3.4 68.4 1.0
CB B:CYS326 3.5 67.8 1.0
CA B:CYS331 3.6 62.2 1.0
CA A:CYS331 3.6 65.8 1.0
N A:MET332 3.9 64.3 1.0
N A:GLY333 4.0 59.2 1.0
N B:MET332 4.0 60.7 1.0
N B:GLY333 4.1 58.5 1.0
C B:CYS331 4.2 60.5 1.0
C A:CYS331 4.2 64.9 1.0
CA A:GLY333 4.4 57.4 1.0
CA B:GLY333 4.5 56.6 1.0
CA A:CYS326 4.8 71.9 1.0
N A:CYS331 4.9 68.5 1.0
N B:CYS331 4.9 65.7 1.0
CA B:CYS326 4.9 70.2 1.0
C A:MET332 4.9 60.4 1.0
C B:MET332 5.0 58.8 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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