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Ligands
Code Name Style Show Link
6N9 N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1h-pyrrolo[2,3-B]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide
DMS Dimethyl sulfoxide
GOL Glycerol
TMA Tetramethylammonium ion
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Code : 5JRQ   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM
Release Data : 2016-09-14
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 448-723)
mutation: I543A, I544S, I551K, Q562R, L588N, K630S, F667E, Y673S, A688R, L706S, Q709R, S713E, L716E, S720E, P722S, K723G, V600E
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: BRAF, BRAF1, RAFB1
Authors : Grasso, M.J., Marmorstein, R.
Keywords : kinase, dimer, TRANSFERASE-TRANSFERASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.2870 Å )
Citation :

Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.

Grasso, M.,Estrada, M.A.,Ventocilla, C.  et al.
(2016)  Acs Chem.Biol.  11 : 2876 - 2888

PubMed: 27571413
DOI: 10.1021/acschembio.6b00529

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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