Structure of PDB 1zh6 Chain A Binding Site BS01

Receptor Information
>1zh6 Chain A (length=307) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFEMIKRNTSEIISEEELREVLKKDEKSALIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIILLADLHAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSEFQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNGCHYRGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRLL
Ligand information
Ligand ID4AF
InChIInChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyZXSBHXZKWRIEIA-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(=O)c1ccc(C[CH](N)C(O)=O)cc1
OpenEye OEToolkits 1.6.1CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.6.1CC(=O)c1ccc(cc1)CC(C(=O)O)N
CACTVS 3.352CC(=O)c1ccc(C[C@H](N)C(O)=O)cc1
ACDLabs 10.04O=C(O)C(N)Cc1ccc(cc1)C(=O)C
FormulaC11 H13 N O3
Name4-ACETYL-L-PHENYLALANINE;
P-ACETYLPHENYLALANINE
ChEMBLCHEMBL1230248
DrugBank
ZINCZINC000014982780
PDB chain1zh6 Chain A Residue 315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1zh6 Structural characterization of a p-acetylphenylalanyl aminoacyl-tRNA synthetase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G34 L65 A67 H70 Y151 Q155 G158 Q173
Binding residue
(residue number reindexed from 1)		G34 L65 A67 H70 Y151 Q155 G158 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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1zh6, PDBe:1zh6, PDBj:1zh6
PDBsum1zh6
PubMed16248607
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

[Back to BioLiP]