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Atomistry » Zinc » PDB 7g71-7h2y » 7g7w » |
Zinc in PDB 7g7w: Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 MicromEnzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm
All present enzymatic activity of Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm:
3.1.4.39; Protein crystallography data
The structure of Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm, PDB code: 7g7w
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:
Other elements in 7g7w:
The structure of Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm
(pdb code 7g7w). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 Microm, PDB code: 7g7w: Zinc binding site 1 out of 1 in 7g7wGo back to![]() ![]()
Zinc binding site 1 out
of 1 in the Crystal Structure of Rat Autotaxin in Complex with 4-[4-[3-[2-[(5- Methyltetrazol-2-Yl)Methyl]-4-(Trifluoromethyl) Phenyl]Propanoyl]Piperazine-1-Carbonyl]Benzenesulfonamide, I.E. Smiles C(=O)(N1CCN(CC1)C(=O)C1CCC(CC1)S(=O)(=O)N) CCC1CCC(CC1CN1N=Nc(=N1)C)C(F)(F)F with IC50=0.0212583 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: Sun Feb 9 00:39:48 2025
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