Structure of PDB 6jez Chain A Binding Site BS03

Receptor Information
>6jez Chain A (length=240) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPVRMSPLSMLPHLADLV
SYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTMDDM
SWDCGSQDYKYDVTDVSKAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLM
AICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMI
QKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGN
Ligand information
Ligand IDEJO
InChIInChI=1S/C13H15NO2/c1-3-14(4-2)11-7-5-10-6-8-13(15)16-12(10)9-11/h5-9H,3-4H2,1-2H3
InChIKeyQXAMGWKESXGGNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN(CC)c1ccc2C=CC(=O)Oc2c1
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc2c(c1)OC(=O)C=C2
FormulaC13 H15 N O2
Name7-(diethylamino)chromen-2-one
ChEMBLCHEMBL1430816
DrugBank
ZINCZINC000000058059
PDB chain6jez Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jez Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L136 D137 H140 K141
Binding residue
(residue number reindexed from 1)		L14 D15 H18 K19
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:6jez, PDBe:6jez, PDBj:6jez
PDBsum6jez
PubMed31991094
UniProtP13053|VDR_RAT Vitamin D3 receptor (Gene Name=Vdr)

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