Structure of PDB 6lum Chain E Binding Site BS01

Receptor Information

>6lum Chain E (length=31) Species: 1445611 (Mycolicibacterium smegmatis MC2 51)

MVLFFEILLVAAVLVITWFAVYALYRLVTDE

Ligand information

• Ligand ID: PIE
• InChI: InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1
• InChIKey: PDLAMJKMOKWLAJ-OJERQSHOSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC
  CACTVS 3.341: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC
  ACDLabs 10.04: O=C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
  CACTVS 3.341: CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC
• Formula: C43 H80 O13 P
• Name: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
• DrugBank: DB02144
• PDB chain: 6lum Chain E Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6lum Cryo-EM structure of trimeric Mycobacterium smegmatis succinate dehydrogenase with a membrane-anchor SdhF.
• Resolution: 2.84 Å
• Binding residue (original residue number in PDB): W18 V21 Y25
• Binding residue (residue number reindexed from 1): W18 V21 Y25
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6lum, PDBe:6lum, PDBj:6lum
• PDBsum: 6lum
• PubMed: 32843629
• UniProt: A0R4D1