Structure of PDB 3n2y Chain B Binding Site BS01

Receptor Information
>3n2y Chain B (length=305) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEFEMIKRNTSEIISEEELREVLKKDEKSALIGFEPSGKIHLGHYLQIKK
MIDLQNAGFDIIIILADLHAYLNQKGELDEIRKIGDYNKKVFEAMGLKAK
YVYGSEFMLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVIY
PIMQVNGIHYVGGDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLDG
EGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLEY
PLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILEP
IRKRL
Ligand information
Ligand IDTEF
InChIInChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1
InChIKeyKHTQUIIGXJUWFB-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(cc1)n2ncnn2
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C(=O)O)N)n2ncnn2
CACTVS 3.370N[C@@H](Cc1ccc(cc1)n2ncnn2)C(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2
FormulaC10 H11 N5 O2
Name4-(2H-tetrazol-2-yl)-L-phenylalanine;
p-(2-tetrazolyl)-phenylalanine
ChEMBL
DrugBank
ZINCZINC000058638473
PDB chain3n2y Chain B Residue 315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n2y A biosynthetic route to photoclick chemistry on proteins
Resolution2.49 Å
Binding residue
(original residue number in PDB)		L32 G34 A67 M109 Y151 Q155 G158 I159 Q173
Binding residue
(residue number reindexed from 1)		L31 G33 A66 M108 Y150 Q154 G157 I158 Q172
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:3n2y, PDBe:3n2y, PDBj:3n2y
PDBsum3n2y
PubMed20919707
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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