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Calcium in PDB 6rn8: RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl PhosphateEnzymatic activity of RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate
All present enzymatic activity of RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate:
2.7.10.2; 2.7.11.1; Protein crystallography data
The structure of RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate, PDB code: 6rn8
was solved by
M.A.Convery,
P.A.Haile,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Calcium Binding Sites:
The binding sites of Calcium atom in the RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate
(pdb code 6rn8). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate, PDB code: 6rn8: Calcium binding site 1 out of 1 in 6rn8Go back to Calcium Binding Sites List in 6rn8
Calcium binding site 1 out
of 1 in the RIP2 Kinase Catalytic Domain Complex with 2(4[(1,3BENZOTHIAZOL5YL) Amino]6(2METHYLPROPANE2SULFONYL)QUINAZOLIN7YL)Oxy)Ethyl Phosphate
Mono view Stereo pair view
Reference:
P.A.Haile,
L.N.Casillas,
B.J.Votta,
G.Z.Wang,
A.K.Charnley,
X.Dong,
M.J.Bury,
J.J.Romano,
J.F.Mehlmann,
B.W.King,
K.F.Erhard,
C.R.Hanning,
D.B.Lipshutz,
B.M.Desai,
C.A.Capriotti,
M.C.Schaeffer,
S.B.Berger,
M.K.Mahajan,
M.A.Reilly,
R.Nagilla,
E.J.Rivera,
H.H.Sun,
J.K.Kenna,
A.M.Beal,
M.T.Ouellette,
M.Kelly,
G.Stemp,
M.A.Convery,
A.Vossenkamper,
T.T.Macdonald,
P.J.Gough,
J.Bertin,
R.W.Marquis.
Discovery of A First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[D]Thiazol-5-Ylamino)-6-(Tert-Butylsulfonyl) Quinazolin-7-Yl)Oxy)Ethyl Dihydrogen Phosphate, For the Treatment of Inflammatory Diseases. J.Med.Chem. V. 62 6482 2019.
Page generated: Sat Dec 12 07:31:01 2020
ISSN: ISSN 0022-2623 PubMed: 31265286 DOI: 10.1021/ACS.JMEDCHEM.9B00575 |
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