Structure of PDB 3mn6 Chain K Binding Site BS02

Receptor Information
>3mn6 Chain K (length=360) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRDSYVGDEAQSKRGIL
TLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLNPKAN
REKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVLDSGDGVSHTVPI
YEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTEEREIVRDIKEK
LCYVALDFEQEMATAASSSSLEKSYELKDGQVITIGNERFRCPEALFQPS
FLGMEACGIHETTYNSIMKCDVDIRKDLYANTVLSGGTTMYPGIADRMQK
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 chain3mn6 Chain K Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mn6 Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G13 S14 G15 K18 G156 D157 G158 V159 K213 E214 G302 M305 Y306
Binding residue
(residue number reindexed from 1)		G9 S10 G11 K14 G141 D142 G143 V144 K198 E199 G287 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
Biological Process
GO:0000281 mitotic cytokinesis
GO:0006338 chromatin remodeling
GO:0007291 sperm individualization
GO:0030723 ovarian fusome organization
GO:0032507 maintenance of protein location in cell
GO:0035148 tube formation
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0031011 Ino80 complex
GO:0035060 brahma complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3mn6, PDBe:3mn6, PDBj:3mn6
PDBsum3mn6
PubMed20538977
UniProtP10987|ACT1_DROME Actin-5C (Gene Name=Act5C)

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