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Calcium in PDB 7g7p: Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine, PDB code: 7g7p was solved by M.Stihle, J.Benz, D.Hunziker, E.Goetschi, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.95 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.48, 91.902, 119.699, 90, 90, 90
R / Rfree (%) 18.6 / 24.1

Other elements in 7g7p:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine also contains other interesting chemical elements:

Potassium (K) 1 atom
Chlorine (Cl) 1 atom
Zinc (Zn) 1 atom
Sodium (Na) 1 atom
Fluorine (F) 3 atoms
Bromine (Br) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine (pdb code 7g7p). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine, PDB code: 7g7p:

Calcium binding site 1 out of 1 in 7g7p

Go back to Calcium Binding Sites List in 7g7p
Calcium binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca908

b:32.0
occ:1.00
 O A:HOH1264 2.1 40.9 1.0
OD1 A:ASP747 2.2 29.5 1.0
O A:LEU745 2.2 30.5 1.0
OD1 A:ASP743 2.4 31.6 1.0
OD1 A:ASN741 2.4 32.9 1.0
OD1 A:ASP739 2.4 27.4 1.0
CG A:ASP743 3.3 30.1 1.0
C A:LEU745 3.4 28.8 1.0
CG A:ASP747 3.4 31.0 1.0
CG A:ASN741 3.5 34.1 1.0
CG A:ASP739 3.5 27.6 1.0
OD2 A:ASP743 3.7 30.4 1.0
N A:ASP747 3.8 29.8 1.0
ND2 A:ASN741 3.9 30.3 1.0
CA A:ASP739 4.0 28.3 1.0
C A:ARG746 4.0 30.7 1.0
N A:LEU745 4.1 28.1 1.0
CA A:LEU745 4.2 26.8 1.0
CA A:ASP747 4.2 29.1 1.0
OD2 A:ASP747 4.2 31.2 1.0
CB A:ASP739 4.2 24.6 1.0
O A:ARG746 4.3 36.0 1.0
N A:ASP743 4.4 28.7 1.0
OD2 A:ASP739 4.4 27.9 1.0
O A:PHE738 4.4 27.0 1.0
CB A:ASP747 4.4 30.8 1.0
N A:ARG746 4.4 27.2 1.0
CB A:LEU745 4.5 27.0 1.0
N A:ASN741 4.5 29.1 1.0
C A:ASP739 4.5 29.4 1.0
CB A:ASP743 4.6 27.1 1.0
CA A:ARG746 4.7 30.0 1.0
CB A:ASN741 4.8 28.8 1.0
N A:TYR742 4.8 29.8 1.0
N A:TYR740 4.8 30.2 1.0
CA A:ASP743 4.9 30.4 1.0
OE2 A:GLU751 4.9 50.6 1.0
N A:GLY744 4.9 32.2 1.0
C A:ASN741 4.9 31.0 1.0
CA A:ASN741 5.0 29.5 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: Sat Feb 8 16:02:59 2025

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