Structure of PDB 3p27 Chain A Binding Site BS01

Receptor Information
>3p27 Chain A (length=433) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQRYYKTTVPTKPKKPHDISAFVKSALPHLSFVVLGHVDAGKSTLMGRLL
YDLNIVNQSQLRKLQRWIMDQTVTVSICTSHFSTHRANFTIVDAPGVPNA
IMGISQADMAILCVDCSTFDLDGQTKEHMLLASSLGIHNLIIAMNKMDNV
DWSQQRFEEIKSKLLPYLVDIGFFEDNINWVPISGFSGEGVYKIEYTDEV
RQWYNGPNLMSTLENAAFKISKENEGINKDDPFLFSVLEIIPSKLALVSG
KLESGSIQPGESLTIYPSEQSCIVDKIQVGSQQHEETDVAIKGDFVTLKL
RKAYPEDIQNGDLAASVDYSSIHSAQCFVLELTTFDMNRPLLPGTPFILF
IGVKEQPARIKRLISFIDKGNTASKKKIRHLGSKQRAFVEIELIEVKRWI
PLLTAHENDRLGRVVLRKDGRTIAAGKISEITQ
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain3p27 Chain A Residue 663 [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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PDB3p27 Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		V176 D177 G179 K180 S181 T182 K314 D316 N317 S352 G353 F354
Binding residue
(residue number reindexed from 1)		V38 D39 G41 K42 S43 T44 K146 D148 N149 S184 G185 F186
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D177 K180 S181 T232
Catalytic site (residue number reindexed from 1) D39 K42 S43 T74
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:3p27, PDBe:3p27, PDBj:3p27
PDBsum3p27
PubMed21102444
UniProtP32769|HBS1_YEAST Elongation factor 1 alpha-like protein (Gene Name=HBS1)

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