Structure of PDB 4hjx Chain B Binding Site BS01

Receptor Information
>4hjx Chain B (length=306) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFEMIKRNTSEIISEEELREVLKKDEKSARIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIIYLADLGAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSENCLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNNIHYSGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRL
Ligand information
Ligand IDF2Y
InChIInChI=1S/C9H9F2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKeyKPKMCRFCNWVLDA-ZETCQYMHSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Fc1cc(cc(F)c1O)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(cc(c(c1F)O)F)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(cc(c(c1F)O)F)C[C@@H](C(=O)O)N
CACTVS 3.370N[CH](Cc1cc(F)c(O)c(F)c1)C(O)=O
CACTVS 3.370N[C@@H](Cc1cc(F)c(O)c(F)c1)C(O)=O
FormulaC9 H9 F2 N O3
Name3,5-difluoro-L-tyrosine
ChEMBL
DrugBank
ZINCZINC000006091244
PDB chain4hjx Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hjx A genetically encoded 19F NMR probe for tyrosine phosphorylation.
Resolution2.91 Å
Binding residue
(original residue number in PDB)		R32 G34 E36 Y65 A67 Y151 Q155 N158 Q173
Binding residue
(residue number reindexed from 1)		R32 G34 E36 Y65 A67 Y151 Q155 N158 Q173
Annotation score3
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
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006437 tyrosyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hjx, PDBe:4hjx, PDBj:4hjx
PDBsum4hjx
PubMed23450644
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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