Structure of PDB 5c1t Chain B Binding Site BS01

Receptor Information
>5c1t Chain B (length=287) Species: 5759 (Entamoeba histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRLLVVGSSGVGKTTLCDCFFEISISDIVGKQACDNPYDGYDAILVMYDI
TELKSFTDLKTMWLPDIFLYCNIDTQIIIIGNKKDQEIDRIITRKEAEQF
AQDRLCQFYEISTKDDSCQLLFDCISRDFLQCDIKIRMLMVGDQNVGKTT
FIRKFALQDPDFMNAITTRFEMEKIKYEIIMIDWGFYNKLLQTNPAISRT
IEAILIVYDITNEESFQNIHRKYYLINNKFSDVAGVIVGKTDLEAQRKIT
MGDLTLADWLGYKYVEMSSKDTEDHSSIIKALAHSIR
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 chain5c1t Chain B Residue 402 [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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PDB5c1t Crystal Structure Analysis of Wild Type and Fast Hydrolyzing Mutant of EhRabX3, a Tandem Ras Superfamily GTPase from Entamoeba histolytica.
Resolution2.801 Å
Binding residue
(original residue number in PDB)		S29 G30 V31 G32 T34 T35 D130 T158
Binding residue
(residue number reindexed from 1)		S9 G10 V11 G12 T14 T15 D85 T113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5c1t, PDBe:5c1t, PDBj:5c1t
PDBsum5c1t
PubMed26555751
UniProtQ5NT25

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