Structure of PDB 8ib2 Chain D Binding Site BS01

Receptor Information
>8ib2 Chain D (length=373) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDIAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDS
YVGDEAQSKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHP
VLLTEAPLNPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIV
MDSGDGVTHTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTT
TAEREIVRDIKEKLCYVALDFEQEMATAASSSSLEKSYELPDGQVITIGN
ERFRCPEALFQPSFLGMESCGIHETTFNSIMKCDVDIRKDLYANTVLSGG
TTMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTF
QQMWISKQEYDESGPSIVHRKCF
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 chain8ib2 Chain D 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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PDB8ib2 Structural basis of membrane skeleton organization in red blood cells.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		G13 M16 D157 K213 E214 G302 Y306 K336
Binding residue
(residue number reindexed from 1)		G11 M14 D155 K211 E212 G300 Y304 K334
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: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:8ib2, PDBe:8ib2, PDBj:8ib2
PDBsum8ib2
PubMed37044097
UniProtQ6QAQ1|ACTB_PIG Actin, cytoplasmic 1 (Gene Name=ACTB)

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