Structure of PDB 5etd Chain A Binding Site BS01

Receptor Information
>5etd Chain A (length=112) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFT
MKQNLEAYRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGA
VLRQARRQAEKM
Ligand information
Ligand ID5RN
InChIInChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyVUIMBZIZZFSQEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)c1c[nH]c2ccccc12
OpenEye OEToolkits 2.0.4CC(=O)c1c[nH]c2c1cccc2
FormulaC10 H9 N O
Name1-(1~{H}-indol-3-yl)ethanone
ChEMBLCHEMBL553944
DrugBank
ZINCZINC000000335859
PDB chain5etd Chain A Residue 801 [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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PDB5etd 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)		F653 V657 V662 F714
Binding residue
(residue number reindexed from 1)		F26 V30 V35 F87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5etd, PDBe:5etd, PDBj:5etd
PDBsum5etd
PubMed27167503
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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