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Chlorine in PDB 7g6n: Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One

Enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One

All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One:
3.1.4.39;

Protein crystallography data

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One, PDB code: 7g6n was solved by M.Stihle, J.Benz, D.Hunziker, P.Mattei, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.09 / 1.81
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.281, 91.405, 119.929, 90, 90, 90
R / Rfree (%) 19.3 / 23.3

Other elements in 7g6n:

The structure of Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Sodium (Na) 2 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One (pdb code 7g6n). 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-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One, PDB code: 7g6n:

Chlorine binding site 1 out of 1 in 7g6n

Go back to Chlorine Binding Sites List in 7g6n
Chlorine binding site 1 out of 1 in the Crystal Structure of Rat Autotaxin in Complex with 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-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 3-[5-Cyclopropyl-6- (Oxan-4-Yloxy)Pyridin-3-Yl]-4-Methyl-1H-1,2,4-Triazol-5-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:49.2
occ:1.00
 N A:ASN230 3.3 38.2 1.0
NH1 A:ARG391 3.5 33.6 1.0
CA A:GLY229 3.6 32.6 1.0
N A:SER231 3.8 38.4 1.0
C A:GLY229 3.9 37.8 1.0
CE A:LYS208 4.0 33.4 1.0
CA A:ASN230 4.2 41.4 1.0
CG A:LYS208 4.3 27.7 1.0
CG1 A:VAL385 4.4 37.4 1.0
O A:SER231 4.4 38.0 1.0
CB A:ASN230 4.4 41.4 1.0
C A:ASN230 4.5 42.6 1.0
CD1 A:LEU389 4.5 34.4 1.0
CZ A:ARG391 4.6 33.0 1.0
CD2 A:LEU389 4.6 36.8 1.0
CB A:SER231 4.7 42.8 1.0
CA A:SER231 4.7 37.7 1.0
CG A:LEU389 4.7 33.1 1.0
CD A:LYS208 4.7 31.3 1.0
NH2 A:ARG391 4.9 33.3 1.0
N A:GLY229 4.9 26.2 1.0
NZ A:LYS208 5.0 39.2 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 Jul 13 01:13:14 2025

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