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Zinc in PDB 7g3x: Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide, PDB code: 7g3x was solved by M.Stihle, J.Benz, D.Hunziker, J.Cai, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.97 / 1.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.129, 92.072, 120.457, 90, 90, 90
R / Rfree (%) 17 / 20.7

Other elements in 7g3x:

The structure of Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide also contains other interesting chemical elements:

Calcium (Ca) 2 atoms
Sodium (Na) 1 atom
Potassium (K) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide (pdb code 7g3x). 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 Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide, PDB code: 7g3x:

Zinc binding site 1 out of 1 in 7g3x

Go back to Zinc Binding Sites List in 7g3x
Zinc binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Rat Autotaxin in Complex with (2S)-1-[2-(2,1,3- Benzothiadiazol-4-Yloxy)Acetyl]Azetidine-2-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn906

b:22.2
occ:1.00
 O A:HOH1468 1.7 31.5 1.0
OD1 A:ASP311 2.0 21.8 1.0
NE2 A:HIS315 2.0 29.5 1.0
NE2 A:HIS474 2.1 21.2 1.0
OD2 A:ASP311 2.6 25.6 1.0
CG A:ASP311 2.6 18.9 1.0
CD2 A:HIS315 3.0 25.6 1.0
CD2 A:HIS474 3.0 19.0 1.0
CE1 A:HIS315 3.0 32.4 1.0
CE1 A:HIS474 3.1 20.8 1.0
O A:HOH1156 3.8 33.9 1.0
CB A:ASP311 4.1 19.8 1.0
CG A:HIS315 4.1 24.7 1.0
ND1 A:HIS315 4.1 26.9 1.0
ND1 A:HIS474 4.2 19.0 1.0
CG A:HIS474 4.2 19.1 1.0
O A:HOH1005 4.2 27.7 1.0
CE1 A:HIS359 4.2 19.6 1.0
O A:HOH1483 4.4 51.5 1.0
CE A:MET361 4.5 22.7 1.0
NE2 A:HIS359 4.5 20.3 1.0
CA A:CA901 4.5 21.9 1.0
OG1 A:THR209 4.5 22.2 1.0
OD1 A:ASP171 4.6 26.1 1.0
O A:ASP311 4.8 21.1 1.0
CA A:ASP311 5.0 21.2 1.0

Reference:

D.Hunziker, S.C.Joachim, C.Ullmer, M.G.Rudolph. Crystal Structure of A Rat Autotaxin Complex To Be Published.
Page generated: Sun Feb 9 00:24:08 2025

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