Structure of PDB 3vgj Chain A Binding Site BS01

Receptor Information
>3vgj Chain A (length=353) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EESKIEDVDKILNDILSISSECIQPDELRVKLLLKRKLICYDGFEPSGRM
HIAQGLLKSIIVNKLTSNGCTFIFWIADWFAHLNNKMSGDLKKIKKVGSY
FIEVWKSCGMNMENVQFLWASEEINKKPNEYWSLVLDISRSFNINRMKRC
LKIMGRSEGEENYCSQILYPCMQCADIFFLNVDICQLGIDQRKVNMLARE
YCDIKKIKKKPVILSHGMLPGLLEGQEKMSKSDENSAIFMDDSESDVNRK
IKKAYCPPNVIENNPIYAYAKSIIFPSYNEFNLVRKEKNGGDKTYYTLQE
LEHDYVNGFIHPLDLKDNVAMYINKLLQPVRDHFQNNIEAKNLLNEIKKY
KVT
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain3vgj Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vgj Malaria parasite tyrosyl-tRNA synthetase secretion triggers pro-inflammatory responses.
Resolution2.212 Å
Binding residue
(original residue number in PDB)		Y60 G62 E64 W94 F99 I172 Y188 Q192 D195 Q210
Binding residue
(residue number reindexed from 1)		Y41 G43 E45 W75 F80 I153 Y169 Q173 D176 Q191
Annotation score5
Enzymatic activity
Enzyme Commision number 6.1.1.1: tyrosine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004831 tyrosine-tRNA ligase activity
GO:0005524 ATP binding
GO:0046789 host cell surface receptor binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
GO:0044650 adhesion of symbiont to host cell
Cellular Component
GO:0005737 cytoplasm
GO:0044164 host cell cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3vgj, PDBe:3vgj, PDBj:3vgj
PDBsum3vgj
PubMed22068597
UniProtQ8IAR7

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