Structure of PDB 5ewd Chain A Binding Site BS01

Receptor Information
>5ewd Chain A (length=113) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFF
TMKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGG
AVLRQARRQAEKM
Ligand information
Ligand ID5SH
InChIInChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
InChIKeyJVZRCNQLWOELDU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		c1ccc(cc1)c2ccncc2
FormulaC11 H9 N
Name4-phenylpyridine
ChEMBLCHEMBL109074
DrugBank
ZINCZINC000000967333
PDB chain5ewd Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ewd Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		V662 N708 F714
Binding residue
(residue number reindexed from 1)		V36 N82 F88
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.70,Kd>200uM
BindingDB: Kd=>200000nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ewd, PDBe:5ewd, PDBj:5ewd
PDBsum5ewd
PubMed27167503
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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