8A12: Myosin-A

Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S. Determined by X-ray diffraction at 2.03 Å resolution. Released 21 Jun 2023.

Method
X-ray diffraction
Resolution
2.03 Å
Organism
Plasmodium falciparum
Chains
3
Atoms
9,182
Mol. weight
132.45 kDa
Ligands
MG, ADP
Released
21 Jun 2023

Explore 8A12 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8A12 contains 65 α-helices and 40 β-strands across 3 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 48 helices, 31 β-strands

ElementResiduesLengthSheet
α-helix5-1410
α-helix20-212
β-strand2411
α-helix291
β-strand3011
α-helix311
β-strand35-3842
α-helix42-465
β-strand53-5752
α-helix581
β-strand6213
β-strand6513
β-strand66-7272
β-strand80-8232
α-helix84-863
β-strand87-8932
α-helix96-983
β-strand10114
α-helix102-1043
α-helix110-12213
β-strand127-13044
β-strand133-13754
α-helix148-1569
α-helix160-1623
α-helix164-1652
α-helix167-18115
β-strand185-19064
α-helix197-20812
α-helix218-23518
β-strand236-23725
β-strand245-24625
β-strand249-25684
β-strand262-27094
α-helix274-2774
β-strand28715
α-helix288-2969
α-helix299-3057
α-helix310-3123
α-helix328-34114
α-helix346-36318
β-strand367-37046
β-strand378-38146
α-helix383-3853
α-helix386-39510
α-helix400-4089
β-strand409-41467
β-strand417-42267
α-helix425-45531
β-strand465-46954
β-strand47918
α-helix481-51232
α-helix516-5183
α-helix525-5328
α-helix538-5469
α-helix553-56311
β-strand570-57238
β-strand580-58568
β-strand588-59368
α-helix597-6026
α-helix608-6147
α-helix619-6246
α-helix628-6303
α-helix637-6393
α-helix641-65717
β-strand660-66784
α-helix680-68910
α-helix692-7009
β-strand705-70849
α-helix709-7168
α-helix717-7204
α-helix721-7244
α-helix731-74212
α-helix746-7483
β-strand749-75139
β-strand755-75849
α-helix760-77314
α-helix775-7773
α-helix778-79922
α-helix801-81616
Chain B: 10 helices, 5 β-strands
ElementResiduesLengthSheet
α-helix29-3810
β-strand40110
β-strand43-45310
α-helix46-5510
α-helix62-7211
β-strand75-77310
α-helix78-8710
α-helix95-984
α-helix100-1045
β-strand112-114311
α-helix115-12410
α-helix128-1303
α-helix131-14111
β-strand146-148311
α-helix149-1579
Chain E: 7 helices, 4 β-strands
ElementResiduesLengthSheet
α-helix6-1611
β-strand22-23212
α-helix25-339
α-helix41-455
β-strand51-52212
α-helix53-6311
β-strand84-85213
α-helix87-9610
α-helix103-11311
β-strand121-122213
α-helix123-13210

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Myosin-AAprotein818Plasmodium falciparumQ8IDR3 (AlphaFold model)
Myosin A tail domain interacting proteinBprotein204Plasmodium falciparumQ8I4W8 (AlphaFold model)
Myosin essential light chain ELCEprotein134Plasmodium falciparumQ8IJM4 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>8A12_1 Myosin-A (chains A)
MAVTNEEIKTASKIVRRVSNVEAFDKSGSVFKGYQIWTDISPTIENDPNIMFVKCVVQQG
SKKEKLTVVQIDPPGTGTPYDIDPTHAWNCNSQVDPMSFGDIGLLNHTNIPCVLDFLKHR
YLKNQIYTTAVPLIVAINPYKDLGNTTNEWIRRYRDTADHTKLPPHVFTCAREALSNLHG
VNKSQTIIVSGESGAGKTEATKQIMRYFASSKSGNMDLRIQTAIMAANPVLEAFGNAKTI
RNNNSSRFGRFMQLVISHEGGIRYGSVVAFLLEKSRIITQDDNERSYHIFYQFLKGANST
MKSKFGLKGVTEYKLLNPNSTEVSGVDDVKDFEEVIESLKNMELSESDIEVIFSIVAGIL
TLGNVRLIEKQEAGLSDAAAIMDEDMGVFNKACELMYLDPELIKREILIKVTVAGGTKIE
GRWNKNDAEVLKSSLCKAMYEKLFLWIIRHLNSRIEPEGGFKTFMGMLDIFGFEVFKNNS
LEQLFINITNEMLQKNFVDIVFERESKLYKDEGISTAELKYTSNKEVINVLCEKGKSVLS
YLEDQCLAPGGTDEKFVSSCATNLKENNKFTPAKVASNKNFIIQHTIGPIQYCAESFLLK
NKDVLRGDLVEVIKDSPNPIVQQLFEGQVIEKGKIAKGSLIGSQFLNQLTSLMNLINSTE
PHFIRCIKPNENKKPLEWCEPKILIQLHALSILEALVLRQLGYSYRRTFEEFLYQYKFVD
IAAAEDSSVENQNKCVNILKLSGLSESMYKIGKSMVFLKQEGAKILTKIQREKLVEWENC
VSVIEAAILKHKYKQKVNKNIPSLLRVQAHIRKKMVAQ
Sequence of entity 2 (B), FASTA
>8A12_2 Myosin A tail domain interacting protein (chains B)
MKQECNVCYFNLPDPESTLGPYDNELNYFTWGPGFEYEPEPQRKPLSIEESFENSEESEE
SVADIQQLEEKVDESDVRIYFNEKSSGGKISIDNASYNARKLGLAPSSIDEKKIKELYGD
NLTYEQYLEYLSICVHDKDNVEELIKMFAHFDNNCTGYLTKSQMKNILTTWGDALTDQEA
IDALNAFSSEDNIDYKLFCEDILQ
Sequence of entity 3 (E), FASTA
>8A12_3 Myosin essential light chain ELC (chains E)
MASDMEEKFREAFILFSSCSDHIEMYKFFELMNSFGIILTNDEKAALPNDINMDYWLNFA
KKHYNYEQPFKHINNVNEQNTNVQIKIDNFLGIMKALDTRLTESDLNILLQITNPENKST
LNLKTVSQKLTESI

Ligands and cofactors

IDNameFormulaCopies
MGMagnesium ionMg1
ADPAdenosine-5'-diphosphateC10 H15 N5 O10 P21

Water and common crystallization additives (EDO, SO4) are not listed.

Primary citation

Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Moussaoui, D., Robblee, J.P., Robert-Paganin, J. et al. Nat Commun (2023) 14:3463-3463. DOI 10.1038/s41467-023-38976-7 · PubMed

Other PDB entries of the same protein (UniProt Q8IDR3 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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