Structure of PDB 7ynw Chain B Binding Site BS01

Receptor Information
>7ynw Chain B (length=308) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFEMIKRNTSEIISEEELREVLKKDEKSAGIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIIGLADLHAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSEEQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNSIHYEGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMRLKNAVAEELIKILE
PIRKRLSD
Ligand information
Ligand IDJ2F
InChIInChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
InChIKeyNLFOHNAFILVHGM-AWEZNQCLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)COc2ccc(cc2)CC(C(=O)O)N)[N+](=O)[O-]
OpenEye OEToolkits 2.0.7c1ccc(c(c1)COc2ccc(cc2)C[C@@H](C(=O)O)N)[N+](=O)[O-]
CACTVS 3.385N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
CACTVS 3.385N[C@@H](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
FormulaC16 H16 N2 O5
Name(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
ChEMBL
DrugBank
ZINCZINC000050888574
PDB chain7ynw Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ynw Crystal Structure of an Archaeal Tyrosyl-tRNA Synthetase Bound to Photocaged L-Tyrosine and Its Potential Application to Time-Resolved X-ray Crystallography.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		G32 G34 E36 G65 H70 Q155 I159 E162 Q173
Binding residue
(residue number reindexed from 1)		G32 G34 E36 G65 H70 Q155 I159 E162 Q173
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:7ynw, PDBe:7ynw, PDBj:7ynw
PDBsum7ynw
PubMed36142308
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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