Structure of PDB 5jrq Chain B

Receptor sequence
>5jrqB (length=246) Species: 9606 (Homo sapiens) [Search protein sequence]
FDDWEIPDGQITVGQRIGSGSTVYKGKWHGDVAVKMLNVTAPTPQQLQAF
KNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHASETKF
EMKKLIDIARQTARGMDYLHAKSIIHRDLKSNNIFLHEDNTVKIGDFGLA
TEILWMAPEVIRMNPYSFQSDVYAFGIVLYELMTGQLPYSIIEMVGRGSL
SPDLSKVRSNCPKRMKRLMAECLKKKRDERPSFPRILAEIEELARE
3D structure
PDB5jrq Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
ChainB
Resolution2.287 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
Catalytic site (residue number reindexed from 1) D128 K130 N132 N133 D146
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 6N9 B I463 V471 A481 K483 L514 T529 W531 C532 S535 F583 D594 F595 G596 I17 V23 A33 K35 L66 T81 W83 C84 S87 F135 D146 F147 G148 PDBbind-CN: -logKd/Ki=6.77,IC50=169nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5jrq, PDBe:5jrq, PDBj:5jrq
PDBsum5jrq
PubMed27571413
UniProtP15056|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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