Structure of PDB 4e4x Chain A

Receptor sequence
>4e4xA (length=267) Species: 9606 (Homo sapiens) [Search protein sequence]
DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQA
FKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETK
FEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGL
ATVKSRWSLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQL
PYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDER
PLFPQILASIELLARSL
3D structure
PDB4e4x The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
ChainA
Resolution3.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D576 K578 N580 N581 D594 S616
Catalytic site (residue number reindexed from 1) D129 K131 N133 N134 D147 S162
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 T1Q A A481 K483 L505 L514 T529 C532 F583 D594 F595 G596 A34 K36 L58 L67 T82 C85 F136 D147 F148 G149 PDBbind-CN: -logKd/Ki=8.15,IC50=7nM
BindingDB: IC50=41nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4e4x, PDBe:4e4x, PDBj:4e4x
PDBsum4e4x
PubMed22534450
UniProtP15056|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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