Structure of PDB 5yu6 Chain B Binding Site BS01

Receptor Information
>5yu6 Chain B (length=170) Species: 9615 (Canis lupus familiaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNR
GPIKFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHR
DLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYN
FEKPFLWLARKLIGDPNLEF
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain5yu6 Chain B Residue 301 [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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PDB5yu6 Structural Basis for Selective Binding of Export Cargoes by Exportin-5
Resolution2.997 Å
Binding residue
(original residue number in PDB)		G20 T21 G22 K23 T24 T25 E36 K37 K38 Y39 A41 A67 G68 N122 K123 D125 S150 A151
Binding residue
(residue number reindexed from 1)		G14 T15 G16 K17 T18 T19 E30 K31 K32 Y33 A35 A61 G62 N116 K117 D119 S144 A145
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003924 GTPase activity
GO:0005049 nuclear export signal receptor activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0070883 pre-miRNA binding
GO:1905172 RISC complex binding
Biological Process
GO:0000054 ribosomal subunit export from nucleus
GO:0000070 mitotic sister chromatid segregation
GO:0006606 protein import into nucleus
GO:0006611 protein export from nucleus
GO:0006913 nucleocytoplasmic transport
GO:0015031 protein transport
GO:0035281 pre-miRNA export from nucleus
GO:0046039 GTP metabolic process
GO:0046827 positive regulation of protein export from nucleus
GO:0051301 cell division
GO:0061015 snRNA import into nucleus
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016442 RISC complex
GO:0032991 protein-containing complex
GO:0042470 melanosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yu6, PDBe:5yu6, PDBj:5yu6
PDBsum5yu6
PubMed30100359
UniProtP62825|RAN_CANLF GTP-binding nuclear protein Ran (Gene Name=RAN)

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