Structure of PDB 2hf3 Chain A Binding Site BS02

Receptor Information
>2hf3 Chain A (length=364) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEEVAALVVDNGSGMCKAGFAGDDAPRAVFPSIVGRPRKDSYVGDEAQSK
RGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPLN
PKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVLDSGDGVSH
TVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTEEREIVRD
IKEKLCYVALDFEQEMATAASSSSLEKSYELKDGQVITIGNERFRCPEAL
FQPSFLGMEACGIHETTYNSIMKCDVDIRKDLYANTVLSGGTTMYPGIAD
RMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKQE
YDESGPSIVHRKCF
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 chain2hf3 Chain A Residue 800 [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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PDB2hf3 Crystal Structures of Expressed Non-polymerizable Monomeric Actin in the ADP and ATP States.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S14 G15 K18 G156 D157 G182 K213 E214 G301 G302 M305 Y306
Binding residue
(residue number reindexed from 1)		S13 G14 K17 G145 D146 G171 K202 E203 G290 G291 M294 Y295
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hf3, PDBe:2hf3, PDBj:2hf3
PDBsum2hf3
PubMed16920713
UniProtP10987|ACT1_DROME Actin-5C (Gene Name=Act5C)

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