Structure of PDB 4hav Chain A Binding Site BS01

Receptor Information
>4hav Chain A (length=196) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNRGP
IKFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDL
VRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFE
KPFLWLARKLIGDPNLEFVAMPALAPPEHDLEVAQTTALPDEDDDL
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain4hav Chain A 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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PDB4hav Nuclear export inhibition through covalent conjugation and hydrolysis of Leptomycin B by CRM1.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		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)		G11 G12 T13 G14 K15 T16 T17 F27 E28 K29 Y31 T34 G60 N114 K115 D117 I118 S142 A143 K144
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003682 chromatin binding
GO:0003723 RNA binding
GO:0003924 GTPase activity
GO:0003925 G protein activity
GO:0005049 nuclear export signal receptor activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019003 GDP binding
GO:0019904 protein domain specific binding
GO:0044877 protein-containing complex binding
GO:0045296 cadherin binding
GO:0045505 dynein intermediate chain binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0061676 importin-alpha family protein binding
GO:0070883 pre-miRNA binding
Biological Process
GO:0000054 ribosomal subunit export from nucleus
GO:0000055 ribosomal large subunit export from nucleus
GO:0000056 ribosomal small subunit export from nucleus
GO:0000070 mitotic sister chromatid segregation
GO:0000278 mitotic cell cycle
GO:0006259 DNA metabolic process
GO:0006606 protein import into nucleus
GO:0006611 protein export from nucleus
GO:0006913 nucleocytoplasmic transport
GO:0007052 mitotic spindle organization
GO:0007286 spermatid development
GO:0008104 protein localization
GO:0014070 response to organic cyclic compound
GO:0015031 protein transport
GO:0016032 viral process
GO:0021766 hippocampus development
GO:0030036 actin cytoskeleton organization
GO:0031503 protein-containing complex localization
GO:0032092 positive regulation of protein binding
GO:0035281 pre-miRNA export from nucleus
GO:0042307 positive regulation of protein import into nucleus
GO:0046039 GTP metabolic process
GO:0051301 cell division
GO:0061015 snRNA import into nucleus
GO:0071389 cellular response to mineralocorticoid stimulus
GO:1902570 protein localization to nucleolus
Cellular Component
GO:0000785 chromatin
GO:0001673 male germ cell nucleus
GO:0002177 manchette
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005643 nuclear pore
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005814 centriole
GO:0005829 cytosol
GO:0016020 membrane
GO:0030496 midbody
GO:0032991 protein-containing complex
GO:0036126 sperm flagellum
GO:0042470 melanosome
GO:0042565 RNA nuclear export complex
GO:0055037 recycling endosome
GO:0070062 extracellular exosome
GO:0090543 Flemming body

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hav, PDBe:4hav, PDBj:4hav
PDBsum4hav
PubMed23297231
UniProtP62826|RAN_HUMAN GTP-binding nuclear protein Ran (Gene Name=RAN)

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