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Atomistry » Bromine » PDB 5i74-5l3j » 5iex | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Bromine » PDB 5i74-5l3j » 5iex » |
Bromine in PDB 5iex: Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2Enzymatic activity of Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2
All present enzymatic activity of Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2:
2.7.11.22; Protein crystallography data
The structure of Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2, PDB code: 5iex
was solved by
P.Ayaz,
D.Andres,
D.A.Kwiatkowski,
C.Kolbe,
P.Lienau,
G.Siemeister,
U.Luecking,
C.M.Stegmann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Bromine Binding Sites:
The binding sites of Bromine atom in the Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2
(pdb code 5iex). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2, PDB code: 5iex: Bromine binding site 1 out of 1 in 5iexGo back to Bromine Binding Sites List in 5iex
Bromine binding site 1 out
of 1 in the Crystal Structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-Hydroxy-1- Methylpropyl]Oxy}- Pyrimidin-2-Yl)Amino]Phenyl}-S- Cyclopropylsulfoximide Bound to CDK2
Mono view Stereo pair view
Reference:
P.Ayaz,
D.Andres,
D.A.Kwiatkowski,
C.C.Kolbe,
P.Lienau,
G.Siemeister,
U.Lucking,
C.M.Stegmann.
Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (Bay 1000394), A Type I Cdk Inhibitor with Kinetic Selectivity For CDK2 and CDK9. Acs Chem.Biol. V. 11 1710 2016.
Page generated: Sat Dec 12 02:26:48 2020
ISSN: ESSN 1554-8937 PubMed: 27090615 DOI: 10.1021/ACSCHEMBIO.6B00074 |
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