Structure of PDB 8u07 Chain B Binding Site BS01

Receptor Information
>8u07 Chain B (length=277) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAKVTVLGLGPMGAALAGAFLAAGHRTTVWNEGATEVASAAEAVAASPLV
VVCLATYEAVHEVLDPLADELAGRTVVNLTSGSPVHARETANWAQQHGAE
YLDGVIMTTPSGIGKPDYLLLYSGSQAAFDGSRGTLCALGEPMNLGTDAA
MASVYDTALLGLMWGTLTGWLHGVALMGADGPGGNVTATAFTEVANRWMK
TVGVFMNTYAPHVDAGHYPGDEFTLHLHHRTMNILAHASELRGVVSGLPE
LLTELTGRAITAGHGNDSYARLVEFIR
Ligand information
Ligand IDA7F
InChIInChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
InChIKeyKAJXOWFGKYKMMZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
CACTVS 3.385O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
ACDLabs 12.01O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21
FormulaC20 H11 N3 O2
NameArcyriaflavin A;
12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
ChEMBL
DrugBank
ZINC
PDB chain8u07 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u07 An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
Resolution1.63 Å
Binding residue
(original residue number in PDB)		I246 A250 R254
Binding residue
(residue number reindexed from 1)		I234 A238 R242
Annotation score1
External links