Structure of PDB 5owe Chain A Binding Site BS01

Receptor Information
>5owe 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 IDB0E
InChIInChI=1S/C13H8O4/c14-7-5-10(15)12-8-3-1-2-4-9(8)13(16)17-11(12)6-7/h1-6,14-15H
InChIKeyVLXAGAKGJMXVQF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c2c(OC(=O)c3ccccc23)c1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)-c3c(cc(cc3OC2=O)O)O
FormulaC13 H8 O4
Name1,3-bis(oxidanyl)benzo[c]chromen-6-one
ChEMBLCHEMBL4472996
DrugBank
ZINCZINC000005731721
PDB chain5owe 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5owe Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I652 V657 V662 N708 F714
Binding residue
(residue number reindexed from 1)		I26 V31 V36 N82 F88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5owe, PDBe:5owe, PDBj:5owe
PDBsum5owe
PubMed
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

[Back to BioLiP]