Structure of PDB 8u07 Chain B Binding Site BS03

Receptor Information

>8u07 Chain B (length=277) Species: 77133 (uncultured bacterium)

GAKVTVLGLGPMGAALAGAFLAAGHRTTVWNEGATEVASAAEAVAASPLV
VVCLATYEAVHEVLDPLADELAGRTVVNLTSGSPVHARETANWAQQHGAE
YLDGVIMTTPSGIGKPDYLLLYSGSQAAFDGSRGTLCALGEPMNLGTDAA
MASVYDTALLGLMWGTLTGWLHGVALMGADGPGGNVTATAFTEVANRWMK
TVGVFMNTYAPHVDAGHYPGDEFTLHLHHRTMNILAHASELRGVVSGLPE
LLTELTGRAITAGHGNDSYARLVEFIR

Ligand information

• Ligand ID: A7F
• InChI: InChI=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)
• InChIKey: KAJXOWFGKYKMMZ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
  CACTVS 3.385: O=C1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
  ACDLabs 12.01: O=C1NC(=O)c2c3c4ccccc4[NH]c3c3[NH]c4ccccc4c3c21
• Formula: C20 H11 N3 O2
• Name: Arcyriaflavin A;
  12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
• PDB chain: 8u07 Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u07 An imine reductase that captures reactive intermediates in the biosynthesis of the indolocarbazole reductasporine
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): S93 G94 S95 P96 T169
• Binding residue (residue number reindexed from 1): S81 G82 S83 P84 T157
• Annotation score: 1

External links

• PDB: RCSB:8u07, PDBe:8u07, PDBj:8u07
• PDBsum: 8u07
• UniProt: A0A0F7G0Y4