Brand  (β version)

PDB ID: 4DBN

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

Code : 4DBN   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-B]pyridine derivative
Release Data : 2012-04-11
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
expression_system_strain: Sf9
expression_system_vector_type: Baculovirus
expression_system_plasmid: pFASTBAC
Authors : Yano, J.K., Aertgeerts, K.
Keywords : kinase drug complex, Ser/Thr Kinase, ATP Binding, Phosphorylation, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 3.1500 Å )
Citation :

Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.

Okaniwa, M.,Hirose, M.,Imada, T.  et al.
(2012)  J.Med.Chem.  55 : 3452 - 3478

PubMed: 22376051
DOI: 10.1021/jm300126x

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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