Structure of PDB 4akn Chain A

Receptor sequence
>4aknA (length=112) Species: 9606 (Homo sapiens) [Search protein sequence]
VTNQLQYLHKVVMKALWKHQFAWPFRQPVDAVKLGLPDYHKIIKQPMDMG
TIKRRLENNYYWAASECMQDFNTMFTNCYIYNKPTDDIVLMAQTLEKIFL
QKVASMPQEEQE
3D structure
PDB4akn Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
ChainA
Resolution1.82 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 S5B A W97 F99 L108 N156 I162 W23 F25 L34 N82 I88 MOAD: ic50=0.79uM
PDBbind-CN: -logKd/Ki=6.10,IC50=0.79uM
BindingDB: IC50=794.33nM
External links
PDB RCSB:4akn, PDBe:4akn, PDBj:4akn
PDBsum4akn
PubMed22437115
UniProtP25440|BRD2_HUMAN Bromodomain-containing protein 2 (Gene Name=BRD2)

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