Structure of PDB 5dyc Chain A Binding Site BS01

Receptor Information
>5dyc 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 ID5GU
InChIInChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
InChIKeyZITQQDFTRWZLSH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1ccc2NCC(=O)Nc2c1
ACDLabs 12.01O=C2CNc1ccc(Br)cc1N2
OpenEye OEToolkits 1.9.2c1cc2c(cc1Br)NC(=O)CN2
FormulaC8 H7 Br N2 O
Name7-bromo-3,4-dihydroquinoxalin-2(1H)-one
ChEMBL
DrugBank
ZINCZINC000019511980
PDB chain5dyc 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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PDB5dyc Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		V657 P658 E661 F714
Binding residue
(residue number reindexed from 1)		V31 P32 E35 F88
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5dyc, PDBe:5dyc, PDBj:5dyc
PDBsum5dyc
PubMed27167503
UniProtP55201|BRPF1_HUMAN Peregrin (Gene Name=BRPF1)

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