Structure of PDB 8cco Chain C Binding Site BS02

Receptor Information
>8cco Chain C (length=372) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVALVVDNGSGMVKSGLAGDDAPKCVFPSIVGRPKMPNIMIGMEQKECYV
GDEAQNKRGILTLKYPIEHGIVTNWDDMEKIWHHTFYNELRVSPEEHPVL
LTEAPLNPKTNREKMTQIMFETFDVPAMYVSIQAILSLYASGRTTGIVLD
SGDGVSHTVPIYEGYVLPHAINRIDMAGRDLTYHMMKLFTERGHTFTTTA
EREIVRDIKEKLCYIAMDYDEELKRSEEHSDEIEEIYELPDGNLITVGSE
RFRCPEALFNPTLIGRECPGLHITAYQSIMKCDIDIRKELYNNIVLSGGT
TMYNNIGERLTKEMTNLAPSSMKIKVIAPPERKYSVWIGGSILSSLSTFQ
QMWITKEEYEDSGPSIVHRKCF
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 chain8cco Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8cco Structure and function of Plasmodium actin II in the parasite mosquito stages.
Resolution3.28 Å
Binding residue
(original residue number in PDB)		G13 S14 G156 D157 K213 E214 G303 Y307
Binding residue
(residue number reindexed from 1)		G9 S10 G152 D153 K209 E210 G299 Y303
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0000146 microfilament motor activity
GO:0005200 structural constituent of cytoskeleton
GO:0005524 ATP binding
GO:0016787 hydrolase activity
Biological Process
GO:0007010 cytoskeleton organization
GO:0070360 symbiont-mediated actin polymerization-dependent cell-to-cell migration in host
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005884 actin filament

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8cco, PDBe:8cco, PDBj:8cco
PDBsum8cco
PubMed36877739
UniProtQ8ILW9|ACT2_PLAF7 Actin-2 (Gene Name=ACT2)

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