Structure of PDB 4efh Chain A Binding Site BS03

Receptor Information
>4efh Chain A (length=364) Species: 5755 (Acanthamoeba castellanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHTGQKDSYVGDEAQS
KRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPL
NPKANREKMTQIMFETFNTPAMYVAIQAVLSLYASGRTTGIVLDSGDGVT
HTVPIYEGYALPHAILRLDLAGRDLTDYLMKILTERGYSFTTTAEREIVR
DIKEKLCYVALDFEQEMHTAASSSALEKSYELPDGQVITIGNERFRAPEA
LFQPSFLGMESAGIHETTYNSIMKCDVDIRKDLYGNVVLSGGTTMFPGIA
DRMQKELTALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWISKE
EYDESGPSIVHRKC
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 chain4efh Chain A Residue 403 [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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PDB4efh Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		G13 S14 G15 K18 G156 D157 G182 R210 K213 E214 G302 T303 M305 F306 K336
Binding residue
(residue number reindexed from 1)		G9 S10 G11 K14 G146 D147 G172 R200 K203 E204 G292 T293 M295 F296 K326
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:0006909 phagocytosis
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0015629 actin cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4efh, PDBe:4efh, PDBj:4efh
PDBsum4efh
PubMed22334675
UniProtP02578|ACT1_ACACA Actin-1

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