Structure of PDB 5ti3 Chain A

Receptor sequence
>5ti3A (length=127) Species: 9606 (Homo sapiens) [Search protein sequence]
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVK
LNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNK
PGDDIVLMAEALEKLFLQKINELPTEE
3D structure
PDB5ti3 Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ChainA
Resolution1.703 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 7CG A V87 L92 L94 N140 I146 M149 V46 L51 L53 N99 I105 M108 MOAD: ic50=44uM
PDBbind-CN: -logKd/Ki=4.36,IC50=44uM
External links
PDB RCSB:5ti3, PDBe:5ti3, PDBj:5ti3
PDBsum5ti3
PubMed28884163
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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