Brand  (β version)

PDB ID: 5VAL

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Ligands
Code Name Style Show Link
92D N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5VAL   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide
Release Data : 2017-06-28
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: UNP residues 445-723
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Unidentified baculovirus  (taxid:10469)
gene: BRAF, BRAF1, RAFB1
expression_system_vector_type: baculovirus
Authors : Mamo, M., Appleton, B.A.
Keywords : BRAF Serine/threonine-protein kinase B-raf, TRANSFERASE-TRANSFERASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.2600 Å )
Citation :

Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.

Nishiguchi, G.A.,Rico, A.,Tanner, H.  et al.
(2017)  J. Med. Chem.  60 : 4869 - 4881

PubMed: 28557458
DOI: 10.1021/acs.jmedchem.6b01862

Reaction

Chain : A, B
UniProt : P15056 (BRAF_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:21441910, PubMed:29433126
-
L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:21441910
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Cofactor: Evidence: Note:
Zn(2+) ECO:0000250
Binds 2 Zn(2+) ions per subunit.