Structure of PDB 5r69 Chain A Binding Site BS01

Receptor Information
>5r69 Chain A (length=135) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVTIVKPIVYGNVARYFGKKREEDGHTHQWTVYVKPYRNEDMSAYVKKIQ
FKLHESYGNPLRVVTKPPYEITETGWGEFEIIIKIFFIDPNERPVTLYHL
LKLFKTVVSEFYDEMIFQDPTAMMQQLLTTSRQLT
Ligand information
Ligand IDZHA
InChIInChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyWEBCZGJWXXPNHB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1ccc2c(c1)CCCC2=O
CACTVS 3.385CC(=O)Nc1ccc2C(=O)CCCc2c1
FormulaC12 H13 N O2
Name~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
ChEMBLCHEMBL1568712
DrugBank
ZINCZINC000004271927
PDB chain5r69 Chain A Residue 603 [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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PDB5r69 XChem group deposition
Resolution1.83 Å
Binding residue
(original residue number in PDB)		H43 H71 S73 Y74 G92 W93 G94 F96
Binding residue
(residue number reindexed from 1)		H26 H54 S56 Y57 G75 W76 G77 F79
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:5r69, PDBe:5r69, PDBj:5r69
PDBsum5r69
PubMed
UniProtO95619|YETS4_HUMAN YEATS domain-containing protein 4 (Gene Name=YEATS4)

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