Structure of PDB 4cqe Chain A

Receptor sequence
>4cqeA (length=250) Species: 9606 (Homo sapiens) [Search protein sequence]
DWEIPDGQITVGQRIGSGGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKN
EVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHASETKFEM
KKLIDIARQTARGMDYLHAKSIIHRDLKSNNIFLHEDNTVKIGDFGGSIL
WMAPEVIRMQNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIEMVG
RGSLSPDLSKVRSNCPKRMKRLMAECLKKKRDERPSFPRILAEIEELARE
3D structure
PDB4cqe Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.
ChainA
Resolution2.3 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) D126 K128 N130 N131 D144 S148
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 CQE A A481 K483 L505 L514 F516 I527 T529 W531 C532 F583 G593 D594 F595 G596 A31 K33 L55 L64 F66 I77 T79 W81 C82 F133 G143 D144 F145 G146 MOAD: Kd<3nM
PDBbind-CN: -logKd/Ki=8.43,IC50=3.7nM
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:4cqe, PDBe:4cqe, PDBj:4cqe
PDBsum4cqe
PubMed25430902
UniProtP15056|BRAF_HUMAN Serine/threonine-protein kinase B-raf (Gene Name=BRAF)

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