Structure of PDB 5ek9 Chain A

Receptor sequence
>5ek9A (length=107) Species: 9606 (Homo sapiens) [Search protein sequence]
EQLKHCNGILKELLSKKHAAYAWPFYKPVDASALGLHDYHDIIKHPMDLS
TVKRKMENRDYRDAQEFAADVRLMFSNCYKYNPPDHDVVAMARKLQDVFE
FRYAKMP
3D structure
PDB5ek9 Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
ChainA
Resolution2.08 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
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 5P4 A W370 P371 L381 N429 V435 W23 P24 L34 N82 V88 PDBbind-CN: -logKd/Ki=7.33,Kd=47nM
BindingDB: Kd=47nM,IC50=2020nM,EC50=480nM
External links
PDB RCSB:5ek9, PDBe:5ek9, PDBj:5ek9
PDBsum5ek9
PubMed29170024
UniProtP25440|BRD2_HUMAN Bromodomain-containing protein 2 (Gene Name=BRD2)

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