Structure of PDB 9bhw Chain A Binding Site BS02

Receptor Information
>9bhw Chain A (length=241) Species: 7719 (Ciona intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFEFTLMVVGESGLGKSTLINSLFLSDLYTVKVETTKVLIKENGVTLRLT
IDDTPGFGDAVDNSNCWQAVINHIEKKFEDYLNAESADNRVHCCLYFIAP
TGHGLKPLDVEFMKNLHDKVNIIPLIAKADTMTPEECLRFKKQIMKEIHE
HKIQLYEFPECNRKLKSRVPFAVVGSNTVLEIGGRRVRGRQYPWGVAEVE
NIDHCDFTVLRNMLVRTHMQDLKDVTNNVHYENYRSKKLSS
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 chain9bhw Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9bhw Structural Insights into Ciona intestinalis Septins: Complexes Suggest a Mechanism for Nucleotide-dependent Interfacial Cross-talk.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		T156 H158 T186 E191
Binding residue
(residue number reindexed from 1)		T101 H103 T131 E136
Annotation score4
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0060090 molecular adaptor activity
Biological Process
GO:0008104 protein localization
GO:0060271 cilium assembly
GO:0061640 cytoskeleton-dependent cytokinesis
Cellular Component
GO:0000775 chromosome, centromeric region
GO:0000776 kinetochore
GO:0005694 chromosome
GO:0005929 cilium
GO:0005940 septin ring
GO:0015630 microtubule cytoskeleton
GO:0031105 septin complex
GO:0032153 cell division site
GO:0032154 cleavage furrow

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9bhw, PDBe:9bhw, PDBj:9bhw
PDBsum9bhw
PubMed38960133
UniProtH2Y169

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