Structure of PDB 1zh0 Chain A Binding Site BS01

Receptor Information
>1zh0 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
KYVYGSSFQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNPAHYQGVDVVVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRLL
Ligand information
Ligand IDNAL
InChIInChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyJPZXHKDZASGCLU-LBPRGKRZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc2ccc1c(cccc1)c2
OpenEye OEToolkits 1.7.0c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc2cc(ccc2c1)CC(C(=O)O)N
CACTVS 3.370N[CH](Cc1ccc2ccccc2c1)C(O)=O
FormulaC13 H13 N O2
NameBETA-(2-NAPHTHYL)-ALANINE
ChEMBLCHEMBL1234619
DrugBankDB01766
ZINCZINC000000128256
PDB chain1zh0 Chain A Residue 315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zh0 Structural plasticity of an aminoacyl-tRNA synthetase active site
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L32 G34 L65 H70 Y151 Q155 H160 Y161 Q173
Binding residue
(residue number reindexed from 1)		L32 G34 L65 H70 Y151 Q155 H160 Y161 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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Cellular Component
External links
PDB RCSB:1zh0, PDBe:1zh0, PDBj:1zh0
PDBsum1zh0
PubMed16618920
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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