Structure of PDB 8v2z Chain E Binding Site BS01

Receptor Information
>8v2z Chain E (length=372) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETTALVCDNGSGLCKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSY
VGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHSFYNELRVAPEEHPT
LLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVL
DSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTT
AEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNE
RFCCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVLSGGT
TMYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQ
QMWISKPEYDEAGPSIVHRKCF
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 chain8v2z 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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PDB8v2z Smooth Muscle Gamma Actin (ACTG2) Filament Mutant R257C
Resolution2.72 Å
Binding residue
(original residue number in PDB)		G13 S14 G15 L16 K18 G156 D157 K213 E214 G302 M305 Y306 K336
Binding residue
(residue number reindexed from 1)		G10 S11 G12 L13 K15 G153 D154 K210 E211 G299 M302 Y303 K333
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
Biological Process
GO:0010628 positive regulation of gene expression
GO:0090131 mesenchyme migration
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0030027 lamellipodium
GO:0030175 filopodium
GO:0032982 myosin filament
GO:0044297 cell body
GO:0070062 extracellular exosome
GO:0071944 cell periphery
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8v2z, PDBe:8v2z, PDBj:8v2z
PDBsum8v2z
PubMed
UniProtP63267|ACTH_HUMAN Actin, gamma-enteric smooth muscle (Gene Name=ACTG2)

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