Structure of PDB 8thx Chain E Binding Site BS01

Receptor Information
>8thx Chain E (length=370) Species: 4930 (Saccharomyces) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGIMVGMGQKDSYVG
DEAQSKRGILTLRYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLL
TEAPMNPKSNREKMTQIMFETFNVPAFYVSIQAVLSLYSSGRTTGIVLDS
GDGVTHVVPIYEGFSLPHAILRIDLAGRDLTDYLMKILSERGYSFSTTAE
REIVRDIKEKLCYVALDFEQEMQTAAQSSSIEKSYELPDGQVITIGNERF
RAPEALFHPSVLGLESAGIDQTTYNSIMKCDVDVRKELYGNIVMSGGTTM
FPGIAERMQKEITALAPSSMKVKIIAPPERKYSVWIGGSILASLTTFQQM
WISKQEYDESGPSIVHHKCF
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8thx Chain E 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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PDB8thx yeast actin A167E mutant wt-like
Resolution3.98 Å
Binding residue
(original residue number in PDB)		G13 G15 M16 K18 D157 K213 E214 G301 G302 F306 K336
Binding residue
(residue number reindexed from 1)		G8 G10 M11 K13 D152 K208 E209 G296 G297 F301 K331
Annotation score5
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0000011 vacuole inheritance
GO:0006281 DNA repair
GO:0006338 chromatin remodeling
GO:0006897 endocytosis
GO:0009306 protein secretion
GO:0030010 establishment of cell polarity
GO:0030476 ascospore wall assembly
GO:1902404 mitotic actomyosin contractile ring contraction
Cellular Component
GO:0000142 cellular bud neck contractile ring
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0030479 actin cortical patch
GO:0031011 Ino80 complex
GO:0032432 actin filament bundle
GO:0035267 NuA4 histone acetyltransferase complex
GO:0062040 fungal biofilm matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8thx, PDBe:8thx, PDBj:8thx
PDBsum8thx
PubMed
UniProtP60009|ACT_CANGA Actin (Gene Name=ACT1)

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