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Chlorine in PDB 8ccd: The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic AcidEnzymatic activity of The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid
All present enzymatic activity of The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid:
5.2.1.8; Protein crystallography data
The structure of The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid, PDB code: 8ccd
was solved by
C.Meyners,
F.H.Knaup,
C.M.Walz,
F.Hausch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid
(pdb code 8ccd). 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 The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid, PDB code: 8ccd: Chlorine binding site 1 out of 1 in 8ccdGo back to Chlorine Binding Sites List in 8ccd
Chlorine binding site 1 out
of 1 in the The FK1 Domain of FKBP51 in Complex with 2-(3-((R)-1-(((S)-1-((S)-2- (5-Chlorothiophen-2-Yl)-2-(3,4,5-Trimethoxyphenyl)Acetyl)Piperidine- 2-Carbonyl)Oxy)-3-(3,4-Dimethoxyphenyl)Propyl)Phenoxy)Acetic Acid
Mono view Stereo pair view
Reference:
F.H.Knaup,
C.Meyners,
W.O.Sugiarto,
S.Wedel,
M.Springer,
C.Walz,
T.M.Geiger,
M.Schmidt,
M.Sisignano,
F.Hausch.
Structure-Based Discovery of A New Selectivity-Enabling Motif For the FK506-Binding Protein 51. J.Med.Chem. 2023.
Page generated: Wed Jul 26 15:53:49 2023
ISSN: ISSN 0022-2623 PubMed: 37058391 DOI: 10.1021/ACS.JMEDCHEM.3C00249 |
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