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Chlorine 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
Zinc (Zn) 1 atom
Sodium (Na) 1 atom
Calcium (Ca) 1 atom
Fluorine (F) 3 atoms
Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Rat Autotaxin in Complex with 3-Bromo-5-[4- (Trifluoromethyl)Phenyl]Pyrazin-2-Amine, PDB code: 7g7p:

Chlorine binding site 1 out of 1 in 7g7p

Go back to Chlorine Binding Sites List in 7g7p
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl901

b:59.3
occ:1.00
 N A:ASN230 3.3 43.9 1.0
NH1 A:ARG391 3.5 39.4 1.0
CA A:GLY229 3.7 34.5 1.0
N A:SER231 3.7 48.9 1.0
C A:GLY229 4.0 42.1 1.0
CE A:LYS208 4.0 38.9 1.0
CA A:ASN230 4.1 49.7 1.0
O A:SER231 4.2 47.5 1.0
CB A:ASN230 4.2 46.3 1.0
C A:ASN230 4.4 50.1 1.0
CG A:LYS208 4.5 34.3 1.0
CG1 A:VAL385 4.5 40.4 1.0
CD1 A:LEU389 4.6 46.5 1.0
CD2 A:LEU389 4.6 43.9 1.0
CZ A:ARG391 4.6 39.5 1.0
CA A:SER231 4.7 47.6 1.0
CB A:SER231 4.7 49.1 1.0
CG A:LEU389 4.8 40.2 1.0
CD A:LYS208 4.8 36.6 1.0
NZ A:LYS208 4.8 44.9 1.0
NH2 A:ARG391 4.9 39.8 1.0
C A:SER231 4.9 42.6 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 Jul 13 01:17:17 2025

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