Structure of PDB 5ewh Chain A Binding Site BS01

Receptor Information

>5ewh 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

InChI=1S/C9H7NO/c11-9-3-1-2-7-6-10-5-4-8(7)9/h1-6,11H

CSNXUYRHPXGSJD-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	Oc1cccc2cnccc12
OpenEye OEToolkits 2.0.4	c1cc2cnccc2c(c1)O

Formula

C9 H7 N O

Name

isoquinolin-5-ol

ZINC000000404427

PDB chain

5ewh 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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PDB	5ewh Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution	1.63 Å
Binding residue (original residue number in PDB)	I652 N708 F714
Binding residue (residue number reindexed from 1)	I26 N82 F88
Annotation score	1
Binding affinity	MOAD: Kd=170uM PDBbind-CN: -logKd/Ki=3.77,Kd=170uM BindingDB: Kd=170000nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:5ewh, PDBe:5ewh, PDBj:5ewh
PDBsum	5ewh
PubMed	27167503
UniProt	P55201\|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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