Structure of PDB 5em3 Chain A Binding Site BS02

Receptor Information
>5em3 Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMD
FFTMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQ
GGAVLRQARRQAEKM
Ligand information
Ligand ID5Q0
InChIInChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
InChIKeyGYESAYHWISMZOK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc2c(cccn2)c(c1)O
CACTVS 3.385Oc1cccc2ncccc12
FormulaC9 H7 N O
Namequinolin-5-ol
ChEMBLCHEMBL589127
DrugBank
ZINCZINC000000336735
PDB chain5em3 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5em3 Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		I652 V657 F714
Binding residue
(residue number reindexed from 1)		I28 V33 F90
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.70,Kd>200uM
BindingDB: Kd=>200000nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5em3, PDBe:5em3, PDBj:5em3
PDBsum5em3
PubMed27167503
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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