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Atomistry » Calcium » PDB 1w7x-1wws » 1wu1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Calcium » PDB 1w7x-1wws » 1wu1 » |
Calcium in PDB 1wu1: Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]PiperazineEnzymatic activity of Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine
All present enzymatic activity of Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine:
3.4.21.6; Protein crystallography data
The structure of Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine, PDB code: 1wu1
was solved by
M.Suzuki,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 1wu1:
The structure of Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine
(pdb code 1wu1). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine, PDB code: 1wu1: Jump to Calcium binding site number: 1; 2; Calcium binding site 1 out of 2 in 1wu1Go back to![]() ![]()
Calcium binding site 1 out
of 2 in the Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine
![]() Mono view ![]() Stereo pair view
Calcium binding site 2 out of 2 in 1wu1Go back to![]() ![]()
Calcium binding site 2 out
of 2 in the Factor Xa in Complex with the Inhibitor 4-[(5-Chloroindol-2-Yl) Sulfonyl]-2-(2-Methylpropyl)-1-[[5-(Pyridin-4-Yl) Pyrimidin-2- Yl]Carbonyl]Piperazine
![]() Mono view ![]() Stereo pair view
Reference:
S.Komoriya,
N.Haginoya,
S.Kobayashi,
T.Nagata,
A.Mochizuki,
M.Suzuki,
T.Yoshino,
H.Horino,
T.Nagahara,
M.Suzuki,
Y.Isobe,
T.Furugoori.
Design, Synthesis, and Biological Activity of Non-Basic Compounds As Factor Xa Inhibitors: Sar Study of S1 and Aryl Binding Sites Bioorg.Med.Chem. V. 13 3927 2005.
Page generated: Fri Jul 12 07:19:09 2024
ISSN: ISSN 0968-0896 PubMed: 15911309 DOI: 10.1016/J.BMC.2005.04.006 |
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