Structure of PDB 5n5u Chain A Binding Site BS02

Receptor Information
>5n5u Chain A (length=309) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDEFELIKRNTSEIISEEELREVLKKDEKSASIGFEPSGKIHLGHYLQIK
KMIDLQNAGFDIIIALADLMAYLNQKGELDEIRKIGDYNKKVFEAMGLKA
KYVYGSEFQLDKDYTLNVYRLALKTTLKRARRSMELIAREDENPKVAEVI
YPIMQVNSIHYEGVDVAVGGMEQRKIHMLARELLPKKVVCIHNPVLTGLD
GEGKMSSSKGNFIAVDDSPEEIRAKIKKAYCPAGVVEGNPIMEIAKYFLE
YPLTIKRPEKFGGDLTVNSYEELESLFKNKELHPMRLKNAVAEELIKILE
PIRKRLSAH
Ligand information
Ligand ID7N8
InChIInChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyNFIVJOSXJDORSP-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O
CACTVS 3.385N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
OpenEye OEToolkits 2.0.6B(c1ccc(cc1)CC(C(=O)O)N)(O)O
CACTVS 3.385N[C@@H](Cc1ccc(cc1)B(O)O)C(O)=O
FormulaC9 H12 B N O4
Name4-Borono-L-phenylalanine
ChEMBLCHEMBL125582
DrugBank
ZINCZINC000169743223
PDB chain5n5u Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5n5u Structural Basis for the Specific Cotranslational Incorporation of p-Boronophenylalanine into Biosynthetic Proteins.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G34 A65 A67 M70 Y151 Q155 S158 E162 Q173
Binding residue
(residue number reindexed from 1)		G34 A65 A67 M70 Y151 Q155 S158 E162 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:5n5u, PDBe:5n5u, PDBj:5n5u
PDBsum5n5u
PubMed29668275
UniProtQ57834|SYY_METJA Tyrosine--tRNA ligase (Gene Name=tyrS)

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