Structure of PDB 5xc5 Chain A Binding Site BS01

Receptor Information
>5xc5 Chain A (length=167) Species: 212035 (Acanthamoeba polyphaga mimivirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYKIILIGSSGVGKSSIVHQFLFNRKISNVSPTIGAAFASKQVIAKNGKT
LKLNIWDTAGLERFRSITKMYYTNSLGCLVVFDVTDRESFDDVYYWINDL
RINCHTTYYILVVANKIDIDKNNWRVSENEIKKFCRDNDCDYVFASSFES
DTVNNLFGKMIDKMSEI
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 chain5xc5 Chain A Residue 201 [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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PDB5xc5 Crystal structures of two forms of the Acanthamoeba polyphaga mimivirus Rab GTPase
Resolution1.398 Å
Binding residue
(original residue number in PDB)		S14 G15 V16 G17 K18 S19 S20 V34 T37 G64 K120 D122 S150 S151 F152
Binding residue
(residue number reindexed from 1)		S10 G11 V12 G13 K14 S15 S16 V30 T33 G60 K116 D118 S146 S147 F148
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L65
Catalytic site (residue number reindexed from 1) L61
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding

View graph for
Molecular Function
External links
PDB RCSB:5xc5, PDBe:5xc5, PDBj:5xc5
PDBsum5xc5
PubMed28779233
UniProtQ5UQ27|RABL_MIMIV Probable Rab-related GTPase (Gene Name=MIMI_R214)

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