Structure of PDB 6s02 Chain B Binding Site BS01

Receptor Information
>6s02 Chain B (length=375) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEVAIGIDLGTTYSCVGICRNGVVDIIANDQGNRTTPSYVAFTDTERLIG
DAAKNQASRNPENTVFDAKRLIGRKFSETTVQSDMKHWPFTVKGGSDGKP
MIEVSYQGEKKTFHPEEISSMVLKKMKEVAETYLGKPVKNAVITVPAYFN
DSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDGEQNILIFDLGGGTF
DVSLLTLEDGIFEVKATSGDTHLGGEDFDNKLVNFCVQDFKKKNGGKNSK
SLRRLRTQCEKAKRVLSSSAQATIEVDSLFDGIDYNVNITRAKFEELCMD
QFRNTLIPVEKVLKDAKMDKSQVHEIVLVGGSTRIPKIQQLIKDFFNGKE
PCKAINPDEAVAYGAAVQAAILSGD
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 chain6s02 Chain B Residue 450 [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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PDB6s02 ThePlasmodium falciparumHsp70-x chaperone assists the heat stress response of the malaria parasite.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		T43 Y44 G232 E299 K302 R303 S306 G370 R373
Binding residue
(residue number reindexed from 1)		T12 Y13 G197 E260 K263 R264 S267 G331 R334
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone

View graph for
Molecular Function
External links
PDB RCSB:6s02, PDBe:6s02, PDBj:6s02
PDBsum6s02
PubMed31690116
UniProtK7NTP5

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