Structure of PDB 7oog Chain A Binding Site BS02

Receptor Information
>7oog Chain A (length=386) 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
SQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLDKKGKGEQNILIFDLGG
GTFDVSLLTLEDGIFEVKATSGDTHLGGEDFDNKLVNFCVQDFKKKNGGK
DVSKNSKSLRRLRTQCEKAKRVLSSSAQATIEVDSLFDGIDYNVNITRAK
FEELCMDQFRNTLIPVEKVLKDAKMDKSQVHEIVLVGGSTRIPKIQQLIK
DFFNGKEPCKAINPDEAVAYGAAVQAAILSGDQSSA
Ligand information
Ligand IDHEW
InChIInChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKeyBAQKUNMKVAPWGU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnc(cc1Br)N
CACTVS 3.385Nc1cc(Br)ccn1
FormulaC5 H5 Br N2
Name4-bromanylpyridin-2-amine
ChEMBL
DrugBank
ZINCZINC000019862889
PDB chain7oog Chain A Residue 511 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7oog Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823
Resolution2.42 Å
Binding residue
(original residue number in PDB)		R101 H118 G233 H257 E261 D262
Binding residue
(residue number reindexed from 1)		R69 H86 G201 H225 E229 D230
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:7oog, PDBe:7oog, PDBj:7oog
PDBsum7oog
PubMed34341192
UniProtK7NTP5

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