Structure of PDB 2oan Chain D Binding Site BS01

Receptor Information
>2oan Chain D (length=360) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRKDSYVGDEAQSKRGIL
TLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKAN
REKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVMDSGDGVTHTVPI
YEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVRDIKEK
LCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGNERFRCPEALFQPS
FLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQK
EITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYDES
GPSIVHRKCF
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 chain2oan Chain D Residue 501 [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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PDB2oan Molecular and Structural Basis for Redox Regulation of beta-Actin.
Resolution2.606 Å
Binding residue
(original residue number in PDB)		S14 G15 K18 G156 D157 G158 V159 G182 R210 K213 E214 G302 T303 M305 Y306
Binding residue
(residue number reindexed from 1)		S9 G10 K13 G141 D142 G143 V144 G167 R195 K198 E199 G287 T288 M290 Y291
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0019901 protein kinase binding
GO:0098973 structural constituent of postsynaptic actin cytoskeleton
Biological Process
GO:0007409 axonogenesis
GO:0048870 cell motility
GO:0098974 postsynaptic actin cytoskeleton organization
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005884 actin filament
GO:0005886 plasma membrane
GO:0005925 focal adhesion
GO:0015629 actin cytoskeleton
GO:0016020 membrane
GO:0030424 axon
GO:0032991 protein-containing complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0045202 synapse
GO:0097433 dense body

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2oan, PDBe:2oan, PDBj:2oan
PDBsum2oan
PubMed17521670
UniProtP60712|ACTB_BOVIN Actin, cytoplasmic 1 (Gene Name=ACTB)

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