Structure of PDB 3rrm Chain B Binding Site BS01

Receptor Information
>3rrm Chain B (length=295) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNFDKISKMFWHYKDKIAQIKQDIVLPIKKADVNVRNLLSRHKRKINPKF
GQLTNSNQQLFKIQNELTQLINDTKGDSLAYHWILNFIAKAVVRQAETEV
RVKPESALPLGKLTLYLLVQFPELQELFMARLVKKCPFVIGFTCEIDTEK
GRQNMGWKRNNENKWEDNTSYDERMGGILSLFAIITRLQLPQEFITTTSH
PFPIALSWHILARICNTPLNLITNTHFVILGSWWDAAAVQFLQAYGNQAS
KLLILIGEELTSRMAEKKYVGAARLRILLEAWQNNNMESFPEMSP
Ligand information
Ligand IDIHP
InChIInChI=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-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[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 3.385O[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
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain3rrm Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3rrm A conserved mechanism of DEAD-box ATPase activation by nucleoporins and InsP6 in mRNA export.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		K264 K333 R374 K377 K378
Binding residue
(residue number reindexed from 1)		K21 K90 R131 K134 K135
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016973 poly(A)+ mRNA export from nucleus
Cellular Component
GO:0005643 nuclear pore

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3rrm, PDBe:3rrm, PDBj:3rrm
PDBsum3rrm
PubMed21441902
UniProtQ12315|GLE1_YEAST mRNA export factor GLE1 (Gene Name=GLE1)

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