Brand  (β version)

PDB ID: 5W4W

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Ligands
Code Name Style Show Link
9WG 4-[3-(4-fluorophenyl)-1-methyl-1h-pyrazol-4-yl]-6-methyl-6,7-dihydro-5h-pyrrolo[3,4-B]pyridin-5-one PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5W4W   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Release Data : 2017-06-28
Compound :
mol_id molecule chains synonym
1 Casein kinase I isoform delta A,B,C,D CKId,Tau-protein kinase CSNK1D
ec: 2.7.11.1,2.7.11.26
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Insect cell expression vector pTIE1  (taxid:266783)
gene: CSNK1D, HCKID
Authors : Liu, S.
Keywords : kinase, inhibitor, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.99 Å )
Citation :

Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.

Wager, T.T.,Galatsis, P.,Chandrasekaran, R.Y.  et al.
(2017)  ACS Chem Neurosci  8 : 1995 - 2004

PubMed: 28609096
DOI: 10.1021/acschemneuro.7b00155

Reaction

Chain : A, B, C, D
UniProt : P48730 (KC1D_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:12270943, PubMed:14761950, PubMed:16618118, PubMed:17562708, PubMed:17962809, PubMed:19043076, PubMed:19591487, PubMed:20041275, PubMed:20048001, PubMed:20637175, PubMed:20699359, PubMed:21084295, PubMed:21422228, PubMed:23636092
left-to-right PubMed:20637175
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:10606744, PubMed:14761950, PubMed:17562708, PubMed:19591487, PubMed:20041275, PubMed:20637175, PubMed:21422228, PubMed:23636092
left-to-right PubMed:20637175
ATP + L-seryl-[tau protein] = ADP + H(+) + O-phospho-L-seryl- [tau protein] 2.7.11.26 PubMed:14761950, PubMed:16618118, PubMed:17562708
left-to-right PubMed:14761950
ATP + L-threonyl-[tau protein] = ADP + H(+) + O-phospho-L- threonyl-[tau protein] 2.7.11.26 PubMed:14761950, PubMed:16618118, PubMed:17562708
left-to-right PubMed:14761950