Brand  (β version)

PDB ID: 3Q96

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
0NF (2s)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3Q96   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor
Release Data : 2011-03-23
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: residues 446-727
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: BRAF, BRAF1, RAFB1
Authors : Sintchak, M.D., Aertgeerts, K., Yano, J.
Keywords : Design, Optimization, Potent, Orally Bioavailable, Tetrahydronaphthalene, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 3.10 Å )
Citation :

Design and optimization of potent and orally bioavailable tetrahydronaphthalene raf inhibitors.

Gould, A.E.,Adams, R.,Adhikari, S.  et al.
(2011)  J.Med.Chem.  54 : 1836 - 1846

PubMed: 21341678
DOI: 10.1021/jm101479y

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
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:21441910
-