Structure of PDB 7dpi Chain B Binding Site BS01

Receptor Information
>7dpi Chain B (length=536) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISVYEDDLFEKLGEEIIEEKLLDVCFDFGLEVDDIEYKNDKKIYKIEVPA
NRYDLICVEGLCRALKNFMCKFDDIKDRRGYVVCCVLKNMNINDSVYNNI
IEIQEKLHHNLGKKRSIHDYDKIKKINFIPLNEKTNLNGMNLIDFYSKNL
NLKPYLKIILSLPPIINCDHTKISLNTKNVFIECTAIDRNKAQIALNILC
SMLSEYCVPKYSIQSFVVIYENQDFSDDQNLIFENKSLTCNIDYVRKLSG
ISHITVHEVNNLLKRMMLSCDIMDNNTFKVTIPFYRSDIMHCCDIIEDIA
IAYGYGNIKYEPCKKHSLNNCSELFRNVLVECGYTEVMTNALLSRDENYN
CMLRTHKSYDDPNINLDEYNPLAAPIQIKNSKTSEYEIIRTSLIVNLLKF
VSANKHRELPLRFFEIGDVSYATYNQTDTNAVNKKYLSIIFSDKFTAGLE
ELHGVLEAILKEYQLFSDYKIEEKKKENDMYYKLIPKEDPSFLNERIVDI
VLHNLKFGVLGIIHPKVLENFSLDIPVSAIEINVET
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 chain7dpi Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dpi Inhibition of Plasmodium falciparum phenylalanine tRNA synthetase provides opportunity for antimalarial drug development.
Resolution3.597 Å
Binding residue
(original residue number in PDB)		D364 E367
Binding residue
(residue number reindexed from 1)		D294 E297
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.20: phenylalanine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004826 phenylalanine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006432 phenylalanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0009328 phenylalanine-tRNA ligase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7dpi, PDBe:7dpi, PDBj:7dpi
PDBsum7dpi
PubMed35460612
UniProtQ8IIW2

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