Structure of PDB 1i7e Chain A Binding Site BS01

Receptor Information

>1i7e Chain A (length=237) Species: 10090 (Mus musculus)

DIEVQDLEEFALRPAPQGITIKCRITRDKGMFPTYFLHLDREDGKKVFLL
AGRKRNYLISVDPTGDSYIGKLRSNLMGTKFTVYDNGVNPQKASSSTLES
GTLRQELAAVCYEKGPRKMSVIVPGMNMVHERVCIRPRNEHETLLARWQN
KNTESIIELQNKTPVWNDDTESYVLNFHGRVTQASVKNFQIIHGNDPDYI
VMQFGRVAEDVFTMDYNYPLCALQAFAIALSSFDSKL

Ligand information

• Ligand ID: IBS
• InChI: InChI=1S/C9H19O17P3/c10-1-3(11)2-23-29(21,22)26-7-4(12)5(13)8(24-27(15,16)17)9(6(7)14)25-28(18,19)20/h4-10,12-14H,1-2H2,(H,21,22)(H2,15,16,17)(H2,18,19,20)/t4-,5+,6+,7?,8-,9-/m1/s1
• InChIKey: JBQPYAMQMBKZDT-WKBARDANSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
  CACTVS 3.341: OCC(=O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O
  ACDLabs 10.04: O=P(OC1C(O)C(O)C(OP(=O)(O)OCC(=O)CO)C(O)C1OP(=O)(O)O)(O)O
  CACTVS 3.341: OCC(=O)CO[P@@](O)(=O)O[C@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O
• Formula: C9 H19 O17 P3
• Name: L-ALPHA-GLYCEROPHOSPHO-D-MYO-INOSITOL-4,5-BIS-PHOSPHATE
• DrugBank: DB02028
• PDB chain: 1i7e Chain A Residue 2001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1i7e G-protein signaling through tubby proteins.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): K330 R332 G346 V347 N348 K351
• Binding residue (residue number reindexed from 1): K71 R73 G87 V88 N89 K92
• Annotation score: 1

External links

• PDB: RCSB:1i7e, PDBe:1i7e, PDBj:1i7e
• PDBsum: 1i7e
• PubMed: 11375483
• UniProt: P50586|TUB_MOUSE Tubby protein (Gene Name=Tub)