Structure of PDB 5lvw Chain A Binding Site BS02

Receptor Information

>5lvw Chain A (length=393) Species: 1931 (Streptomyces sp.)

RSETAELRAELVERVHKFGPVFADGVAEGERERRLPDATVRAIDQSQLAM
LWTAKSYGGLETDVRTMSEVAKVLSHYCPSTSWVVNNVNGSNLLASKFPR
AALDEVFGDAPGAKLASVFAAAGTAVRTPGGYRLTGSWPYGTGILHDDWA
ILVAREVDADGEPVGGLSMLVPARDLTVEDTWHTVGMRATGSHTVVLRDT
FVPEHRVISGELQRSRESATDLGLPPLFRTAAIAAMAVVCASVVLGAGQA
ARALVVEKAPTRGIAPSKYTRQTDSRTFVSSLGRTALSIDAAEMHVARAA
TALDDAAYDAVALPDSELLRIRGDVGQAVSLVTTALDELLWAHGAASFAE
SNPLQRYWRDANTAARHAMLNVHVGHELYGGSFFGLDPIVPSL

Ligand information

• Ligand ID: IND
• InChI: InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
• InChIKey: SIKJAQJRHWYJAI-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [nH]1ccc2ccccc12
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)cc[nH]2
  ACDLabs 10.04: c1cccc2c1ccn2
• Formula: C8 H7 N
• Name: INDOLE
• ChEMBL: CHEMBL15844
• DrugBank: DB04532
• ZINC: ZINC000014516984
• PDB chain: 5lvw Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lvw Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): L98 S121 F123 M373
• Binding residue (residue number reindexed from 1): L94 S117 F119 M369
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003995 acyl-CoA dehydrogenase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:0050660 flavin adenine dinucleotide binding

Biological Process

• GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5lvw, PDBe:5lvw, PDBj:5lvw
• PDBsum: 5lvw
• PubMed: 28643772
• UniProt: I7IIA9