Structure of PDB 4kva Chain A Binding Site BS03

Receptor Information
>4kva Chain A (length=246) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVFNILCVGETGIGKSTLLETLFNQKFDFPKLKAVTYDLKKLKLTVVETC
GYGDENNIKPVVDYIDNQFENYLQEELKMKRSMQAFHDTRVHVCLYFIAP
TGHSLKSIDLVAMKKLENKVNVIPVIAKSDTITKSELQKFKARILSEIQS
NEIGIYQFPTDDEAVSETNSVMNQHIPFAVVGSSEEVKTVRVRQYPWGSV
QVENENHCDFVRLREMLLRVNMEDLRERTHGVHYETYRRQRLIEMG
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 chain4kva Chain B Residue 500 [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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PDB4kva Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		T187 E192
Binding residue
(residue number reindexed from 1)		T131 E136
Annotation score4
Binding affinityMOAD: Kd=0.000115M
PDBbind-CN: -logKd/Ki=3.94,Kd=115uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0019003 GDP binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0060090 molecular adaptor activity
Biological Process
GO:0051260 protein homooligomerization
GO:0061640 cytoskeleton-dependent cytokinesis
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005940 septin ring
GO:0015630 microtubule cytoskeleton
GO:0031105 septin complex
GO:0031982 vesicle
GO:0032153 cell division site

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4kva, PDBe:4kva, PDBj:4kva
PDBsum4kva
PubMed24464615
UniProtA0A3Q0KDV9|SEP10_SCHMA Septin-10 (Gene Name=SEPT10)

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