Structure of PDB 4qr3 Chain A

Receptor sequence
>4qr3A (length=125) Species: 9606 (Homo sapiens) [Search protein sequence]
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVK
LNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNK
PGDDIVLMAEALEKLFLQKINELPT
3D structure
PDB4qr3 Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
ChainA
Resolution1.374 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 BNJ A W81 P82 V87 L92 I146 W40 P41 V46 L51 I105 MOAD: ic50=1.4uM
PDBbind-CN: -logKd/Ki=5.85,IC50=1.40uM
BindingDB: IC50=1400nM
External links
PDB RCSB:4qr3, PDBe:4qr3, PDBj:4qr3
PDBsum4qr3
PubMed25559428
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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