Structure of PDB 8a12 Chain A Binding Site BS02

Receptor Information
>8a12 Chain A (length=811) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTNEEIKTASKIVRRVSNVEAFDKSGSVFKGYQIWTDISPTIENDPNIM
FVKCVVQQGSKKEKLTVVQIDPPGTGTPYDIDPTHAWNCNSQVDPMSFGD
IGLLNHTNIPCVLDFLKHRYLKNQIYTTAVPLIVAINPYKDLGNTTNEWI
RRYRDTADHTKLPPHVFTCAREALSNLHGVNKSQTIIVSGESGAGKTEAT
KQIMRYFASSKSGNMDLRIQTAIMAANPVLEAFGNAKTIRNNNSSRFGRF
MQLVISHEGGIRYGSVVAFLLEKSRIITQDDNERSYHIFYQFLKGANSTM
KSKFGLKGVTEYKLLNPNSTEVSGVDDVKDFEEVIESLKNMELSESDIEV
IFSIVAGILTLGNVRLIEKQESDAAAIMDEDMGVFNKACELMYLDPELIK
REILIKVTVAGGTKIEGRWNKNDAEVLKSSLCKAMYEKLFLWIIRHLNSR
IEPEGGFKTFMGMLDIFGFEVFKNNSLEQLFINITNEMLQKNFVDIVFER
ESKLYKDEGISTAELKYTSNKEVINVLCEKGKSVLSYLEDQCLAPGGTDE
KFVSSCATNLKENNKFTPAKVASNKNFIIQHTIGPIQYCAESFLLKNKDV
LRGDLVEVIKDSPNPIVQQLFEGQVIEIAKGSLIGSQFLNQLTSLMNLIN
STEPHFIRCIKPNENKKPLEWCEPKILIQLHALSILEALVLRQLGYSYRR
TFEEFLYQYKFVDIAAAEDSSVENQNKCVNILKLSGLSESMYKIGKSMVF
LKQEGAKILTKIQREKLVEWENCVSVIEAAILKHKYKQKVNKNIPSLLRV
QAHIRKKMVAQ
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8a12 Chain A Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8a12 Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Resolution2.03 Å
Binding residue
(original residue number in PDB)		T198 S246
Binding residue
(residue number reindexed from 1)		T197 S245
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000146 microfilament motor activity
GO:0003774 cytoskeletal motor activity
GO:0003779 actin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0007015 actin filament organization
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0015629 actin cytoskeleton
GO:0016020 membrane
GO:0016459 myosin complex
GO:0020039 pellicle
GO:0070258 inner membrane pellicle complex
GO:0160055 glideosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a12, PDBe:8a12, PDBj:8a12
PDBsum8a12
PubMed37308472
UniProtQ8IDR3|MYOA_PLAF7 Myosin-A (Gene Name=MyoA)

[Back to BioLiP]