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Zinc in PDB 5agn: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid, PDB code: 5agn 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) 49.15 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.935, 110.476, 164.456, 90.00, 90.00, 90.00
R / Rfree (%) 18.374 / 22.179

Other elements in 5agn:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid 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 (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid (pdb code 5agn). 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 (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid, PDB code: 5agn:

Zinc binding site 1 out of 1 in 5agn

Go back to Zinc Binding Sites List in 5agn
Zinc binding site 1 out of 1 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid


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 (S)-2-Amino-5-(2-Hydroxyacetimidamido)Pentanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1717

b:36.7
occ:1.00
SG A:CYS326 2.3 39.3 1.0
SG A:CYS331 2.4 36.9 1.0
SG B:CYS326 2.4 39.6 1.0
SG B:CYS331 2.5 36.8 1.0
CB B:CYS331 3.3 39.6 1.0
CB A:CYS331 3.3 38.0 1.0
CB A:CYS326 3.4 43.6 1.0
CB B:CYS326 3.5 44.4 1.0
CA A:CYS331 3.5 42.0 1.0
CA B:CYS331 3.6 40.3 1.0
N A:MET332 3.8 40.6 1.0
N B:MET332 4.0 38.7 1.0
N A:GLY333 4.1 36.1 1.0
C A:CYS331 4.1 40.7 1.0
N B:GLY333 4.2 35.0 1.0
C B:CYS331 4.3 40.1 1.0
CA A:GLY333 4.5 35.3 1.0
CA B:GLY333 4.6 34.8 1.0
CA A:CYS326 4.7 45.9 1.0
N A:CYS331 4.8 44.0 1.0
CA B:CYS326 4.8 47.7 1.0
C A:MET332 4.9 37.7 1.0
N B:CYS331 4.9 41.5 1.0
O B:ILE330 4.9 44.2 1.0
CA A:MET332 4.9 40.8 1.0
O A:ILE330 5.0 47.8 1.0
C B:MET332 5.0 36.2 1.0

Reference:

W.Tang, H.Li, E.H.Doud, Y.Chen, S.Choing, C.Plaza, N.L.Kelleher, T.L.Poulos, R.B.Silverman. Mechanism of Inactivation of Neuronal Nitric Oxide Synthase By (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid. J.Am.Chem.Soc. V. 137 5980 2015.
ISSN: ISSN 0002-7863
PubMed: 25874809
DOI: 10.1021/JACS.5B01202
Page generated: Wed Dec 16 06:03:04 2020

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