Structure of PDB 7p31 Chain B Binding Site BS02

Receptor Information
>7p31 Chain B (length=376) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVAIGIDLGTTYSCVGICRNGVVDIIANDQGNRTTPSYVAFTDTERLIGD
AAKNQASRNPENTVFDAKRLIGRKFSETTVQSDMKHWPFTVKGGSDGKPM
IEVSYQGEKKTFHPEEISSMVLKKMKEVAETYLGKPVKNAVITVPAYFND
SQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDKKGEQNILIFDLGGGT
FDVSLLTLEDGIFEVKATSGDTHLGGEDFDNKLVNFCVQDFKKKNVSKNS
KSLRRLRTQCEKAKRVLSSSAQATIEVDSLFDGIDYNVNITRAKFEELCM
DQFRNTLIPVEKVLKDAKMDKSQVHEIVLVGGSTRIPKIQQLIKDFFNGK
EPCKAINPDEAVAYGAAVQAAILSGD
Ligand information
Ligand IDPYZ
InChIInChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKeyLLNQWPTUJJYTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Ic1cnnc1
OpenEye OEToolkits 1.5.0c1c(cn[nH]1)I
CACTVS 3.341Ic1c[nH]nc1
FormulaC3 H3 I N2
Name4-IODOPYRAZOLE
ChEMBL
DrugBankDB02721
ZINCZINC000002046962
PDB chain7p31 Chain B Residue 504 [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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PDB7p31 Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with small molecule ligands
Resolution2.36 Å
Binding residue
(original residue number in PDB)		T42 K100 R101 R105 Y179
Binding residue
(residue number reindexed from 1)		T10 K68 R69 R73 Y147
Annotation score1
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:7p31, PDBe:7p31, PDBj:7p31
PDBsum7p31
PubMed34341192
UniProtK7NTP5

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