Structure of PDB 4nx2 Chain A Binding Site BS01

Receptor Information
>4nx2 Chain A (length=313) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFEMIKRNTSEIISEEELREVLKKDEKSALIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIIILADLGAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSEILLDKDGTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNSIHYMGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMDLKNAVAEELIKILE
PIRKRLAHHHHHH
Ligand information
Ligand ID2LT
InChIInChI=1S/C9H9Cl2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
InChIKeyMPHURJQUHZHALJ-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(cc(c(c1Cl)O)Cl)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O
ACDLabs 12.01Clc1cc(cc(Cl)c1O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](Cc1cc(Cl)c(O)c(Cl)c1)C(O)=O
FormulaC9 H9 Cl2 N O3
Name3,5-dichloro-L-tyrosine
ChEMBL
DrugBank
ZINCZINC000000901726
PDB chain4nx2 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nx2 Significant expansion of fluorescent protein sensing ability through the genetic incorporation of superior photo-induced electron-transfer quenchers.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G34 I65 A67 Y151 Q155 S158 Q173
Binding residue
(residue number reindexed from 1)		G34 I65 A67 Y151 Q155 S158 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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nx2, PDBe:4nx2, PDBj:4nx2
PDBsum4nx2
PubMed25197956
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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