Structure of PDB 8etd Chain B Binding Site BS02

Receptor Information
>8etd Chain B (length=177) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRRKLVIVGDGACGKTCLLIVFSKGTFPEVYVPTVFENYVADVEVDGRHV
ELALWDTAGQEDYDRLRPLSYPDSHVILICFAVDSPDSLDNVQEKWISEV
LHFCSSLPILLVACKADLRNDPKIIEELSKTNQHPVTTEEGQAVAQKIGA
YKYLECSAKTNEGVREVFESATRAAML
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 chain8etd Chain B Residue 302 [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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PDB8etd Crystal Structure of Schizosaccharomyces pombe Rho1 Reveals Its Evolutionary Relationship with Other Rho GTPases.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		A15 G17 K18 T19 C20 F30 K118 D120 L121 A161 K162
Binding residue
(residue number reindexed from 1)		A12 G14 K15 T16 C17 F27 K115 D117 L118 A158 K159
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019003 GDP binding
GO:0019901 protein kinase binding
GO:0035591 signaling adaptor activity
Biological Process
GO:0007015 actin filament organization
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0030100 regulation of endocytosis
GO:0032955 regulation of division septum assembly
GO:0032956 regulation of actin cytoskeleton organization
GO:0032995 regulation of fungal-type cell wall biogenesis
GO:0060635 positive regulation of (1->3)-beta-D-glucan biosynthetic process
GO:0070610 regulation of fungal-type cell wall (1->3)-alpha-glucan biosynthetic process
GO:0090334 regulation of cell wall (1->3)-beta-D-glucan biosynthetic process
GO:0140281 positive regulation of mitotic division septum assembly
GO:0140748 positive regulation of regulation of ascospore wall (1->3)-beta-D-glucan biosynthetic process
GO:1905758 positive regulation of primary cell septum biogenesis
GO:2000769 regulation of establishment or maintenance of cell polarity regulating cell shape
Cellular Component
GO:0000935 division septum
GO:0005634 nucleus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0031097 medial cortex
GO:0032153 cell division site
GO:0035838 growing cell tip
GO:0140453 protein aggregate center
GO:1902716 cell cortex of growing cell tip

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8etd, PDBe:8etd, PDBj:8etd
PDBsum8etd
PubMed36358328
UniProtQ09914|RHO1_SCHPO GTP-binding protein rho1 (Gene Name=rho1)

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