Structure of PDB 2ag6 Chain A Binding Site BS01

Receptor Information
>2ag6 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
YPIMQVNPLHYEGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRLL
Ligand information
Ligand ID4BF
InChIInChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyPEMUHKUIQHFMTH-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)Br
CACTVS 3.341N[C@@H](Cc1ccc(Br)cc1)C(O)=O
CACTVS 3.341N[CH](Cc1ccc(Br)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)Br
ACDLabs 10.04Brc1ccc(cc1)CC(C(=O)O)N
FormulaC9 H10 Br N O2
Name4-BROMO-L-PHENYLALANINE;
P-BROMO-L-PHENYLALANINE
ChEMBL
DrugBank
ZINCZINC000000032333
PDB chain2ag6 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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PDB2ag6 Structural plasticity of an aminoacyl-tRNA synthetase active site
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G34 L65 H70 Y151 Q155 H160 Q173
Binding residue
(residue number reindexed from 1)		G34 L65 H70 Y151 Q155 H160 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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Biological Process
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Cellular Component
External links
PDB RCSB:2ag6, PDBe:2ag6, PDBj:2ag6
PDBsum2ag6
PubMed16618920
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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