Structure of PDB 3peu Chain A Binding Site BS01

Receptor Information

>3peu Chain A (length=178) Species: 4932 (Saccharomyces cerevisiae)

AIKQLYMDCKNEADKFDVLTELYGVMTIGSSIIFVATKKTANVLYGKLKS
EGHEVSILHGDLQTQERDRLIDDFREGRSKVLITTNVLARGIDIPTVSMV
VNYDLPTLANGQADPATYIHRIGRTGGRKGVAISFVHDKNSFNILSAIQK
YFGDIEMTRVPTDDWDEVEKIVKKVLKD

Ligand information

• Ligand ID: IHP
• InChI: InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
• InChIKey: IMQLKJBTEOYOSI-GPIVLXJGSA-N
• SMILES:
  CACTVS 3.385: O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
  ACDLabs 12.01
  OpenEye OEToolkits 2.0.7: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
  CACTVS 3.385: O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
• Formula: C6 H18 O24 P6
• Name: INOSITOL HEXAKISPHOSPHATE;
  MYO-INOSITOL HEXAKISPHOSPHATE;
  INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
• ChEMBL: CHEMBL1233511
• DrugBank: DB14981
• ZINC: ZINC000169289809
• PDB chain: 3peu Chain B Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3peu A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP(6) in mRNA export.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): K477 K481
• Binding residue (residue number reindexed from 1): K173 K177
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.4.13: RNA helicase.

External links

• PDB: RCSB:3peu, PDBe:3peu, PDBj:3peu
• PDBsum: 3peu
• PubMed: 21441902
• UniProt: P20449|DBP5_YEAST ATP-dependent RNA helicase DBP5 (Gene Name=DBP5)