Structure of PDB 4djt Chain A Binding Site BS01

Receptor Information
>4djt Chain A (length=186) Species: 284813 (Encephalitozoon cuniculi GB-M1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTYKICLIGDGGVGKTTYINRVLDGRFEKNYNATVGAVNHPVTFLDDQGN
VIKFNVWDTAGQEKKAVLKDVYYIGASGAILFFDVTSRITCQNLARWVKE
FQAVVGNEAPIVVCANKIDIKISKKLVMEVLKGKNYEYFEISAKTAHNFG
LPFLHLARIFTGRPDLIFVSNVNLEPTEVNYDYHSP
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 chain4djt Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4djt Crystal structure of a nuclear GTP-binding protein from Encephalitozoon cuniculi bound to GDP-Mg2+
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G17 V18 G19 K20 T21 T22 N121 K122 D124 S151 A152 K153
Binding residue
(residue number reindexed from 1)		G12 V13 G14 K15 T16 T17 N116 K117 D119 S142 A143 K144
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
Biological Process
GO:0000054 ribosomal subunit export from nucleus
GO:0006606 protein import into nucleus
GO:0006913 nucleocytoplasmic transport
GO:0015031 protein transport
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4djt, PDBe:4djt, PDBj:4djt
PDBsum4djt
PubMed
UniProtQ8SS11|GSP1_ENCCU GTP-binding nuclear protein GSP1 (Gene Name=GSP1)

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