Structure of PDB 5y94 Chain A

Receptor sequence
>5y94A (length=126) Species: 9606 (Homo sapiens) [Search protein sequence]
GSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVK
LNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNK
PGDDIVLMAEALEKLFLQKINELPTE
3D structure
PDB5y94 Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
ChainA
Resolution2.0 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 8QC A W81 L94 N140 I146 W40 L53 N99 I105 MOAD: Kd=164nM
PDBbind-CN: -logKd/Ki=6.79,Kd=164nM
External links
PDB RCSB:5y94, PDBe:5y94, PDBj:5y94
PDBsum5y94
PubMed29566488
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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