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Magnesium in PDB 4y2u: Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate

Enzymatic activity of Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate

All present enzymatic activity of Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate:
3.3.2.10;

Protein crystallography data

The structure of Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate, PDB code: 4y2u was solved by Y.Amano, T.Yamaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.95 / 2.75
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.313, 92.313, 243.425, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 25.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate (pdb code 4y2u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate, PDB code: 4y2u:

Magnesium binding site 1 out of 1 in 4y2u

Go back to Magnesium Binding Sites List in 4y2u
Magnesium binding site 1 out of 1 in the Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Soluble Epoxide Hydrolase in Complex with Tert-Butyl 1,2, 3,4-Tetrahydroquinolin-3-Ylcarbamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:65.2
occ:1.00
 OD1 A:ASP185 2.3 35.1 1.0
OD2 A:ASP9 2.9 40.2 1.0
O A:ASP11 3.0 36.2 1.0
CG A:ASP185 3.4 33.4 1.0
OD1 A:ASP184 3.6 40.1 1.0
OD2 A:ASP185 3.7 32.8 1.0
CG1 A:ILE186 3.8 35.5 1.0
C A:ASP11 4.0 35.7 1.0
CG A:ASP9 4.1 34.7 1.0
CD1 A:ILE186 4.2 38.8 1.0
CB A:ASP11 4.3 31.9 1.0
CB A:ILE186 4.6 34.6 1.0
N A:ASP185 4.6 31.7 1.0
CG A:ASP184 4.7 39.3 1.0
CA A:ASP11 4.7 33.5 1.0
OD1 A:ASP9 4.7 33.1 1.0
CB A:ASP185 4.7 31.5 1.0
ND2 A:ASN189 4.8 38.5 1.0
N A:ILE186 4.9 32.9 1.0
OD2 A:ASP11 4.9 35.2 1.0

Reference:

Y.Amano, E.Tanabe, T.Yamaguchi. Identification of N-Ethylmethylamine As A Novel Scaffold For Inhibitors of Soluble Epoxide Hydrolase By Crystallographic Fragment Screening Bioorg.Med.Chem. V. 23 2310 2015.
ISSN: ESSN 1464-3391
PubMed: 25862210
DOI: 10.1016/J.BMC.2015.03.083
Page generated: Tue Aug 20 16:24:31 2024

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