Structure of PDB 4pce Chain A

Receptor sequence
>4pceA (length=127) Species: 9606 (Homo sapiens) [Search protein sequence]
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVK
LNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNK
PGDDIVLMAEALEKLFLQKINELPTEE
3D structure
PDB4pce Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
ChainA
Resolution1.293 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 2N0 A W81 V87 N140 I146 W40 V46 N99 I105 MOAD: ic50=7uM
PDBbind-CN: -logKd/Ki=5.15,IC50=7.0uM
BindingDB: IC50=7000nM
External links
PDB RCSB:4pce, PDBe:4pce, PDBj:4pce
PDBsum4pce
PubMed24767840
UniProtO60885|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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