Brand  (β version)

PDB ID: 3TKH

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Ligands
Code Name Style Show Link
07S 1-(morpholin-4-yl)-2-[4-(2-{[5-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}pyridin-4-yl)piperazin-1-yl]ethanone PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3TKH   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Crystal structure of Chk1 in complex with inhibitor S01
Release Data : 2012-04-11
Compound :
mol_id molecule chains
1 Serine/threonine-protein kinase Chk1 A
ec: 2.7.11.1
fragment: chk1 kinase domain
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: CHEK1, CHK1
expression_system_plasmid: pRAD2030
Authors : Yan, Y., Ikuta, M.
Keywords : chk1, kinase, cell checkpoint, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.79 Å )
Citation :

Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates.

Dudkin, V.Y.,Rickert, K.,Kreatsoulas, C.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 2609 - 2612

PubMed: 22374217
DOI: 10.1016/j.bmcl.2012.01.110

Reaction

Chain : A
UniProt : O14757 (CHK1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:10673501, PubMed:12660173, PubMed:14559997, PubMed:15659650, PubMed:15665856, PubMed:16511572, PubMed:16963448, PubMed:17296736, PubMed:17380128, PubMed:18317453, PubMed:18728393, PubMed:31316063, PubMed:9278511
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:10673501, PubMed:12660173, PubMed:14559997, PubMed:15659650, PubMed:15665856, PubMed:16511572, PubMed:16963448, PubMed:17296736, PubMed:17380128, PubMed:18317453, PubMed:18728393, PubMed:31316063, PubMed:9278511
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