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Chlorine in PDB 7g6z: Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One, PDB code: 7g6z was solved by M.Stihle, J.Benz, D.Hunziker, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.99 / 1.53
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.304, 92.277, 120.397, 90, 90, 90
R / Rfree (%) 20.8 / 24

Other elements in 7g6z:

The structure of Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Potassium (K) 1 atom
Calcium (Ca) 1 atom
Sodium (Na) 1 atom
Fluorine (F) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One (pdb code 7g6z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One, PDB code: 7g6z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7g6z

Go back to Chlorine Binding Sites List in 7g6z
Chlorine binding site 1 out of 2 in the Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One


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 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl901

b:32.2
occ:1.00
 CL19 A:Y76901 0.0 32.2 1.0
C3 A:Y76901 1.7 28.2 1.0
N4 A:Y76901 2.6 26.0 1.0
N2 A:Y76901 2.7 27.4 1.0
CE2 A:TYR306 3.7 21.8 1.0
C6 A:Y76901 3.9 25.1 1.0
CE1 A:PHE210 3.9 27.1 1.0
O A:HOH1311 4.0 22.5 1.0
C1 A:Y76901 4.0 27.6 1.0
CZ A:TYR306 4.0 19.2 1.0
OH A:TYR306 4.1 21.7 1.0
CD2 A:TYR306 4.3 20.2 1.0
O A:HOH1264 4.3 28.3 1.0
O A:HOH1013 4.4 33.6 1.0
C5 A:Y76901 4.5 24.3 1.0
CZ A:PHE210 4.5 30.8 1.0
CD1 A:LEU213 4.5 15.5 1.0
CE1 A:TYR306 4.8 18.8 1.0
CD1 A:PHE210 4.8 22.8 1.0

Chlorine binding site 2 out of 2 in 7g6z

Go back to Chlorine Binding Sites List in 7g6z
Chlorine binding site 2 out of 2 in the Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Rat Autotaxin in Complex with 2-Chloro-7-[(4- Fluorophenyl)Methyl]-9-Methylpurin-8-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:35.8
occ:1.00
 N A:ASN230 3.3 21.5 1.0
NH1 A:ARG391 3.4 20.8 1.0
CA A:GLY229 3.5 17.8 1.0
N A:SER231 3.7 23.6 1.0
C A:GLY229 3.9 19.0 1.0
O A:HOH1039 4.0 33.8 1.0
O A:SER231 4.1 22.7 1.0
CA A:ASN230 4.2 24.3 1.0
CG1 A:VAL385 4.3 21.4 1.0
CB A:SER231 4.4 29.6 1.0
CB A:ASN230 4.5 26.0 1.0
C A:ASN230 4.5 26.1 1.0
CZ A:ARG391 4.5 19.3 1.0
CE A:LYS208 4.6 20.9 1.0
CG A:LYS208 4.6 15.7 1.0
CA A:SER231 4.6 24.2 1.0
CD1 A:LEU389 4.6 20.8 1.0
CD2 A:LEU389 4.6 23.4 1.0
NH2 A:ARG391 4.7 18.6 1.0
CG A:LEU389 4.8 19.0 1.0
C A:SER231 4.8 21.1 1.0
N A:GLY229 4.9 16.9 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 17:07:25 2025

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