Brand  (β version)

PDB ID: 3PA5

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Ligands
Code Name Style Show Link
C73 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3s)-piperidin-3-yl]thiophene-3-carboxamide PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 3PA5   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : X-ray crystal structure of compound 1 bound to human CHK1 kinase domain
Release Data : 2010-12-08
Compound :
mol_id molecule chains
1 Serine/threonine-protein kinase Chk1 A
ec: 2.7.11.1
fragment: UNP Residues 2-274
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human SPODOPTERA FRUGIPERDA  (taxid:7108)
gene: CHEK1, CHK1
expression_system_strain: SF9
expression_system_vector_type: Baculovirus
Authors : Fischmann, T.O.
Keywords : kinase, phosphatase, transferase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.7 Å )
Citation :

Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors.

Zhao, L.,Zhang, Y.,Dai, C.  et al.
(2010)  Bioorg.Med.Chem.Lett.  20 : 7216 - 7221

PubMed: 21074424
DOI: 10.1016/j.bmcl.2010.10.105

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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