Structure of PDB 9bhw Chain B Binding Site BS02

Receptor Information
>9bhw Chain B (length=299) Species: 7719 (Ciona intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTPLEGYVGIDTLTEQIRKKALRQGFEFNVMVVGSAGLGKSTLVNTIFKS
KVSRRQPEEDYHTPSTVEIKTISHVIEEKGILLKLSVTDTPGFGDQVDNT
NCWQPIMRHVNEQYEKYLNEEISIKRRKRIPDTRVHCCIYFIPPSGHSLR
LVDIEVMKRLVEIVNVIPVIAKSDSLTLEERERFKATIQQQLIEHNIRVY
PDLENLDVDDETERQRNLKLKERLPFAIVGSSTTHQVGSKAVLGRKAGWG
VIEVENDAHCEFNHLRNMIIRTNLQDLKEVTAQVHYELYRHRRLETLKK
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
Global viewLocal viewStructure summary

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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)		G38 G40 K41 S42 T43 R56 K173 D175 V230 G231 R246
Binding residue
(residue number reindexed from 1)		G37 G39 K40 S41 T42 R55 K172 D174 V229 G230 R245
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:0061640 cytoskeleton-dependent cytokinesis
Cellular Component
GO:0005940 septin ring
GO:0015630 microtubule cytoskeleton
GO:0031105 septin complex
GO:0032153 cell division site

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:9bhw, PDBe:9bhw, PDBj:9bhw
PDBsum9bhw
PubMed38960133
UniProtF7AQE7

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