Structure of PDB 2pxh Chain A Binding Site BS01

Receptor Information
>2pxh Chain A (length=306) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEFEMIKRNTSEIISEEELREVLKKDEKSAGIGFEPSGKIHLGHYLQIKK
MIDLQNAGFDIIIYLADLAAYLNQKGELDEIRKIGDYNKKVFEAMGLKAK
YVYGSEFQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVIY
PIMEVNGWHYSGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLDG
EGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLEY
PLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILEP
IRKRLL
Ligand information
Ligand IDBP5
InChIInChI=1S/C13H13N3O2/c14-10(13(17)18)7-9-4-5-12(16-8-9)11-3-1-2-6-15-11/h1-6,8,10H,7,14H2,(H,17,18)/t10-/m0/s1
InChIKeyVWTQURBMIRJISI-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O
CACTVS 3.370N[CH](Cc1ccc(nc1)c2ccccn2)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc2cnc(c1ncccc1)cc2
OpenEye OEToolkits 1.7.6c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N
FormulaC13 H13 N3 O2
Name3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
ChEMBL
DrugBank
ZINCZINC000016052406
PDB chain2pxh Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pxh A genetically encoded bidentate, metal-binding amino acid.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		G34 Y65 Y151 E155 G158 W159 Q173
Binding residue
(residue number reindexed from 1)		G33 Y64 Y150 E154 G157 W158 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:2pxh, PDBe:2pxh, PDBj:2pxh
PDBsum2pxh
PubMed17893898
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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