Structure of PDB 5nlk Chain A

Receptor sequence
>5nlkA (length=115) Species: 9606 (Homo sapiens) [Search protein sequence]
KIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKNP
MDLSTIKRKLDTGQYQEPWQYVDDVWLMFNNAWLYNRKTSRVYKFCSKLA
EVFEQEIDPVMQSLG
3D structure
PDB5nlk Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ChainA
Resolution1.8 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.3.1.-
2.3.1.48: histone acetyltransferase.
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 92E A P1106 L1109 P1110 Q1113 V1115 L1120 N1168 R1173 V1174 P24 L27 P28 Q31 V33 L38 N86 R91 V92 MOAD: Kd=0.035uM
PDBbind-CN: -logKd/Ki=7.46,Kd=0.035uM
BindingDB: Kd=35nM,IC50=19nM
Gene Ontology
Molecular Function
GO:0004402 histone acetyltransferase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:5nlk, PDBe:5nlk, PDBj:5nlk
PDBsum5nlk
PubMed29532017
UniProtQ92793|CBP_HUMAN CREB-binding protein (Gene Name=CREBBP)

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