Structure of PDB 7k3z Chain E Binding Site BS01

Receptor Information
>7k3z Chain E (length=562) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKDIIYGNECRNELLKGILTVSDVVKLTLGPRGRNVLLEKEYGSPLIIND
GVTIAKQISLKDRKKNNGVKLMQESTQISNDKAGDGTSSTALMTATITKK
GIEQVNRNHNPIPIQRGIQLASKMIIEKIKSLSTPIKTYKDILNIATIAS
NNDVHMGQIIANAYDKLGKNAAIILDDNADINDKLEFTEGYNFDRGIINP
YLLYNENKDYIEYSQVSTLITDQNIDIQSILPILEIFAKNKQPLCIIADD
FSNEVLQTLIINKLKGAIKVVPIRAPSFGDRRKDYLKDLCIVTNSKYISA
DVGLDLNNLHNQMSSFDNNYLSLLGSANTLIVKKDRTSLITKEEYKKEID
ERINVLKKEYEETTSKYDKEKLNERIAALSGGIAKILIGGNSETEQKERK
FKYEAATNAVKSAIDIGYVPGGGVTYLEIIKSNFIQEIHKKIEEDLQISS
NNDEKKYLELIGNLESEMELQKMGANIVVSSLDVITKQIADNAGVNGDNV
VKIILNSKDKYGFGYDVNTNKFVNMVEKGIIDSTNVIISVIKNSCSIASM
VLTTECMMVDHE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7k3z Chain E Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7k3z Crystal structure of P. falciparum Cpn60 bound to ATP reveals an open dynamic conformation before substrate binding.
Resolution3.69 Å
Binding residue
(original residue number in PDB)		D153 A217
Binding residue
(residue number reindexed from 1)		D85 A149
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D118 T155 S156 A474
Catalytic site (residue number reindexed from 1) D50 T87 S88 A405
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0042026 protein refolding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7k3z, PDBe:7k3z, PDBj:7k3z
PDBsum7k3z
PubMed33723304
UniProtQ8I0V3

[Back to BioLiP]