Structure of PDB 7qek Chain A Binding Site BS01

Receptor Information
>7qek Chain A (length=204) Species: 82996 (Serratia plymuthica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRAKFTLGCLPCLGLSLVPEIATDFYQQNSNLVMTLTAEHTETLVKKLDL
REIDLALTMQPVQQGDIMATLIAEVPLVYVDKDYRQGAVEIDSIDQQRWI
SPGLDSLSTAIAAHRVFPATGLNVETCYMAMEFVKRGVGCCITDIFSARH
SLTPEMIHQISPPMKIDLYLLRRADASLSPVTQKFVDFLCKRLRNELREI
NLEL
Ligand information
Ligand ID3IO
InChIInChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKeyRSTKLPZEZYGQPY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1c[nH]c2ccccc12
FormulaC11 H9 N O3
Name3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
ChEMBLCHEMBL485012
DrugBank
ZINCZINC000001532617
PDB chain7qek Chain A Residue 301 [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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PDB7qek Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		P52 C53 H81 L145 L148 E166 T167 C168 T184 D185
Binding residue
(residue number reindexed from 1)		P11 C12 H40 L104 L107 E125 T126 C127 T143 D144
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7qek, PDBe:7qek, PDBj:7qek
PDBsum7qek
PubMed36602305
UniProtP0DV33|ADMX_SERPL HTH-type transcriptional regulator AdmX (Gene Name=admX)

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