Structure of PDB 5nbn Chain D Binding Site BS01

Receptor Information
>5nbn Chain D (length=359) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRDSYVGDEAQSKRGIL
TLRYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPMNPKSN
REKMTQIMFETFNVPAFYVSIQAVLSLYSSGRTTGIVLDSGDGVTHVVPI
YAGFSLPHAILRIDLAGRDLTDYLMKILSERGYSFSTTAEREIVRDIKEK
LCYVALDFEQEMQTAAQSSSIEKSYELPDGQVITIGNERFRAPEALFHPS
VLGLESAGIDQTTYNSIMKCDVDVRKELYGNIVMSGGTTMFPGIAERMQK
EITALAPSSMKVKIIAPPERKYSVWIGGSILASLTTFQQMWISKQEYDES
GPSIVHHKC
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[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
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain5nbn Chain D Residue 502 [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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PDB5nbn The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		G13 S14 K18 G156 D157 V159 K213 E214 G301 G302 M305 F306 K336
Binding residue
(residue number reindexed from 1)		G9 S10 K14 G141 D142 V144 K198 E199 G286 G287 M290 F291 K321
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
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:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
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:0005634 nucleus
GO:0005737 cytoplasm
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:0043232 intracellular non-membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5nbn, PDBe:5nbn, PDBj:5nbn
PDBsum5nbn
PubMed30177756
UniProtP60010|ACT_YEAST Actin (Gene Name=ACT1)

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