Structure of PDB 6ycx Chain B Binding Site BS01
Receptor Information
>6ycx Chain B (length=817) Species:
36329
(Plasmodium falciparum 3D7) [
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AVTNEEIKTASKIVRRVSNVEAFDKSGSVFKGYQIWTDISPTIENDPNIM
FVKCVVQQGSKKEKLTVVQIDPPGTGTPYDIDPTHAWNCNSQVDPMSFGD
IGLLNHTNIPCVLDFLKHRYLKNQIYTTAVPLIVAINPYKDLGNTTNEWI
RRYRDTADHTKLPPHVFTCAREALSNLHGVNKSQTIIVSGESGAGKTEAT
KQIMRYFASSKSGNMDLRIQTAIMAANPVLEAFGNAKTIRNNNSSRFGRF
MQLVISHEGGIRYGSVVAFLLEKSRIITQDDNERSYHIFYQFLKGANSTM
KSKFGLKGVTEYKLLNPNSTEVSGVDDVKDFEEVIESLKNMELSESDIEV
IFSIVAGILTLGNVRLIEKQEAGLSDAAAIMDEDMGVFNKACELMYLDPE
LIKREILIKVTVAGGTKIEGRWNKNDAEVLKSSLCKAMYEKLFLWIIRHL
NSRIEPEGGFKTFMGMLDIFGFEVFKNNSLEQLFINITNEMLQKNFVDIV
FERESKLYKDEGISTAELKYTSNKEVINVLCEKGKSVLSYLEDQCLAPGG
TDEKFVSSCATNLKENNKFTPAKVASNKNFIIQHTIGPIQYCAESFLLKN
KDVLRGDLVEVIKDSPNPIVQQLFEGQVIEKGKIAKGSLIGSQFLNQLTS
LMNLINSTEPHFIRCIKPNENKKPLEWCEPKILIQLHALSILEALVLRQL
GYSYRRTFEEFLYQYKFVDIAAAEDSSVENQNKCVNILKLSGLSESMYKI
GKSMVFLKQEGAKILTKIQREKLVEWENCVSVIEAAILKHKYKQKVNKNI
PSLLRVQAHIRKKMVAQ
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
6ycx Chain B Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
6ycx
Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Resolution
3.99 Å
Binding residue
(original residue number in PDB)
N138 P139 K141 G194 G196 K197 T198 E199 N242 N244
Binding residue
(residue number reindexed from 1)
N137 P138 K140 G193 G195 K196 T197 E198 N241 N243
Annotation score
4
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
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6ycx
,
PDBe:6ycx
,
PDBj:6ycx
PDBsum
6ycx
PubMed
33046215
UniProt
Q8IDR3
|MYOA_PLAF7 Myosin-A (Gene Name=MyoA)
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