Structure of PDB 5cqt Chain A

Receptor sequence

>5cqtA (length=131) Species: 9606 (Homo sapiens) [Search protein sequence]

HHLVPRGSNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQ
PVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTN
CYIYNKPGDDIVLMAEALEKLFLQKINELPT

3D structure

PDB

5cqt Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation

Chain

Resolution

1.6 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	EB3	A	W81 P82 F83 L92 L94 N140 I146 M149	W46 P47 F48 L57 L59 N105 I111 M114	MOAD: Kd=0.124uM PDBbind-CN: -logKd/Ki=6.91,Kd=0.124uM BindingDB: Kd=124nM,IC50=130nM

External links

PDB	RCSB:5cqt, PDBe:5cqt, PDBj:5cqt
PDBsum	5cqt
PubMed	26731490
UniProt	O60885\|BRD4_HUMAN Bromodomain-containing protein 4 (Gene Name=BRD4)

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