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Zinc in PDB 6cic: Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide

Enzymatic activity of Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide

All present enzymatic activity of Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide:
1.14.13.39;

Protein crystallography data

The structure of Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide, PDB code: 6cic 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) 37.92 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.318, 122.157, 165.131, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 20.4

Other elements in 6cic:

The structure of Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide (pdb code 6cic). 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 the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide, PDB code: 6cic:

Zinc binding site 1 out of 1 in 6cic

Go back to Zinc Binding Sites List in 6cic
Zinc binding site 1 out of 1 in the Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Human Nitric Oxide Synthase R354A/G357D Mutant Heme Domain in Complex with N-(1-(2-(Ethyl(Methyl)Amino)Ethyl)-1,2,3,4- Tetrahydroquino-Lin-6-Yl)Thiophene-2-Carboximidamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn805

b:35.6
occ:1.00
 SG A:CYS331 2.3 38.6 1.0
SG B:CYS331 2.3 39.6 1.0
SG B:CYS336 2.4 37.9 1.0
SG A:CYS336 2.4 37.9 1.0
CB A:CYS336 3.2 36.9 1.0
CB B:CYS336 3.2 37.2 1.0
CB B:CYS331 3.4 32.3 1.0
CB A:CYS331 3.4 36.5 1.0
CA A:CYS336 3.6 34.7 1.0
CA B:CYS336 3.6 34.0 1.0
N B:MET337 4.1 38.0 1.0
N A:MET337 4.1 37.3 1.0
C A:CYS336 4.2 39.0 1.0
C B:CYS336 4.3 40.8 1.0
N B:GLY338 4.3 32.8 1.0
N A:GLY338 4.3 32.8 1.0
CA B:GLY338 4.6 28.9 1.0
CA A:GLY338 4.6 29.8 1.0
O B:HOH1146 4.7 63.9 1.0
CA B:CYS331 4.8 47.1 1.0
CA A:CYS331 4.8 42.6 1.0
N A:CYS336 4.8 38.0 1.0
O A:HOH1085 4.9 57.0 1.0
N B:CYS336 4.9 37.8 1.0
O A:HOH1133 4.9 40.6 1.0
O A:ILE335 4.9 46.0 1.0

Reference:

H.Li, R.J.Evenson, G.Chreifi, R.B.Silverman, T.L.Poulos. Structural Basis For Isoform Selective Nitric Oxide Synthase Inhibition By Thiophene-2-Carboximidamides. Biochemistry V. 57 6319 2018.
ISSN: ISSN 1520-4995
PubMed: 30335983
DOI: 10.1021/ACS.BIOCHEM.8B00895
Page generated: Mon Oct 28 18:51:49 2024

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