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Atomistry » Chlorine » PDB 7g6p-7g7v » 7g7s | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 7g6p-7g7v » 7g7s » |
Chlorine in PDB 7g7s: Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 MicromEnzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm
All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm:
3.1.4.39; Protein crystallography data
The structure of Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm, PDB code: 7g7s
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:
Other elements in 7g7s:
The structure of Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm
(pdb code 7g7s). 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 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm, PDB code: 7g7s: Chlorine binding site 1 out of 1 in 7g7sGo back to![]() ![]()
Chlorine binding site 1 out
of 1 in the Crystal Structure of Rat Autotaxin in Complex with 4-Methyl-3-[[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl)Phenoxy]Methyl]-1H-1, 2,4-Triazol-5-One, I.E. Smiles C(C1CC(C(F)(F)F)CCC1OCC1=Nnc(=O)N1C) N1N=C(N=N1)C with IC50=2.52664 Microm
![]() Mono view ![]() Stereo pair view
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 17:12:08 2025
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