Structure of PDB 6wrk Chain A Binding Site BS02

Receptor Information
>6wrk Chain A (length=311) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFEMIKRNTSEIISEEELREVLKKDEKSAHIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIILLADLTAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSEFQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNHAHYRGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRLLEHHH
Ligand information
Ligand IDNIY
InChIInChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKeyFBTSQILOGYXGMD-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)CC(C(=O)O)N
CACTVS 3.341N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O
FormulaC9 H10 N2 O5
NameMETA-NITRO-TYROSINE
ChEMBLCHEMBL1234745
DrugBankDB03867
ZINCZINC000034800261
PDB chain6wrk Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wrk Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		K76 A138 R139 E140 K204 S206 S208
Binding residue
(residue number reindexed from 1)		K76 A138 R139 E140 K204 S206 S208
Annotation score2
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:6wrk, PDBe:6wrk, PDBj:6wrk
PDBsum6wrk
PubMed32569745
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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