Brand  (β version)

PDB ID: 4FC0

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Ligands
Code Name Style Show Link
0T2 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide PoSSuM
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Structure summary

Code : 4FC0   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
Release Data : 2014-01-08
Compound :
mol_id molecule chains synonym
1 Serine/threonine-protein kinase B-raf A,B Proto-oncogene B-Raf, p94, v-Raf murine sarcoma viral oncogene homolog B1
ec: 2.7.11.1
fragment: Kinase Domain (UNP residues 445-726)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: BRAF, BRAF1, P94, RAFB1, V-RAF MURINE SARCOMA VIRAL ONCOGENE HOMOLOG B1
expression_system_strain: Sf9
expression_system_vector_type: Baculovirus
expression_system_plasmid: pFASTBAC
Authors : Yano, J.K., Aertgeerts, K.
Keywords : human serine/theronine protein Kinase, kinase drug complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.9500 Å )
Citation :

Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.

Hirose, M.,Okaniwa, M.,Miyazaki, T.  et al.
(2012)  Bioorg.Med.Chem.  20 : 5600 - 5615

PubMed: 22883026
DOI: 10.1016/j.bmc.2012.07.032

Reaction

Chain : A, B
UniProt : P15056 (BRAF_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:21441910, PubMed:29433126
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:21441910
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