Structure of PDB 8zf1 Chain A Binding Site BS01

Receptor Information
>8zf1 Chain A (length=105) Species: 416870 (Lactococcus cremoris subsp. cremoris MG1363) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKELLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIF
DRLEQDGIISSYWGDEGGRRKYYRLTEIGHEHMRLACESLSRVDKIIENL
EANKK
Ligand information
Ligand IDU1O
InChIInChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17)
InChIKeyGLOTXRJEKGIJGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)Nc1ccc2c(c1)C(=O)c3ccccc3S2
CACTVS 3.385CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1
FormulaC15 H11 N O2 S
NameN-(9-oxidanylidenethioxanthen-2-yl)ethanamide
ChEMBL
DrugBank
ZINC
PDB chain8zf1 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8zf1 Chemogenetic Evolution of Diversified Photoenzymes for Enantioselective [2 + 2] Cycloadditions in Whole Cells.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L8 A11 Q12 A92 C93 L96
Binding residue
(residue number reindexed from 1)		L4 A7 Q8 A86 C87 L90
Annotation score1
External links