Structure of PDB 5uoo Chain A

Receptor sequence
>5uooA (length=113) Species: 9606 (Homo sapiens) [Search protein sequence]
SKVSEQLKCCSGILKEMFAKKHAAYAWPFYKPVDVEALGLHDYCDIIKHP
MDMSTIKSKLEAREYRDAQEFGADVRLMFSNCYKYNPPDHEVVAMARKLQ
DVFEMRFAKMPDE
3D structure
PDB5uoo Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
ChainA
Resolution1.69 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 8FV A W374 P375 F376 L385 C429 N433 H437 V439 M442 W27 P28 F29 L38 C82 N86 H90 V92 M95 MOAD: Ki=1.4nM
PDBbind-CN: -logKd/Ki=8.85,Ki=1.4nM
BindingDB: IC50=28nM,Ki=8.2nM,Kd=8.4nM
External links
PDB RCSB:5uoo, PDBe:5uoo, PDBj:5uoo
PDBsum5uoo
PubMed28463487
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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