Structure of PDB 3a6p Chain H Binding Site BS01

Receptor Information
>3a6p Chain H (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 chain3a6p Chain H Residue 1177 [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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PDB3a6p A high-resolution structure of the pre-microRNA nuclear export machinery
Resolution2.92 Å
Binding residue
(original residue number in PDB)		D18 G19 G20 T21 G22 K23 T24 T25 F35 E36 K37 Y39 T42 G68 N122 K123 D125 I126 S150 A151 K152
Binding residue
(residue number reindexed from 1)		D12 G13 G14 T15 G16 K17 T18 T19 F29 E30 K31 Y33 T36 G62 N116 K117 D119 I120 S144 A145 K146
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:3a6p, PDBe:3a6p, PDBj:3a6p
PDBsum3a6p
PubMed19965479
UniProtP62825|RAN_CANLF GTP-binding nuclear protein Ran (Gene Name=RAN)

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