Brand  (β version)

PDB ID: 4CQE

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Ligands
Code Name Style Show Link
CQE N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide PoSSuM
Non-standard Residues
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Structure summary

Code : 4CQE   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor
Release Data : 2014-12-10
Compound :
mol_id molecule chains synonym
1 SLC45A3-BRAF FUSION PROTEIN A,B SERINE THREONINE-PROTEIN KINASE B-RAF
fragment: KINASE DOMAIN, RESIDUES 11-286
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
Authors : Casale, E., Fasolini, M., Pulici, M., Traquandi, G., Marchionni, C., Modugno, M., Lupi, R., Amboldi, N., Colombo, N., Corti, L., Gasparri, F., Pastori, W., Scolaro, A., Donati, D., Felder, E., Galvani, A., Isacchi, A., Pesenti, E., Ciomei, M.
Keywords : TRANSFERASE, INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.30 Å )
Citation :

Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.

Pulici, M.,Traquandi, G.,Marchionni, C.  et al.
(2015)  Chemmedchem  10 : 276

PubMed: 25430902
DOI: 10.1002/CMDC.201402424

Reaction

Chain : A, B
UniProt : D7PBN4 (D7PBN4_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 ARBA:ARBA00001433
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 ARBA:ARBA00000775
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