Structure of PDB 8c49 Chain A Binding Site BS04

Receptor Information
>8c49 Chain A (length=274) Species: 1291540 (Methanomethylophilus alvi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKYTDAQIQRLREYGNGTYEQKVFEDLASRDAAFSKEMSVASTDNEKKIK
GMIANPSRHGLTQLMNDIADALVAEGFIEVRTPIFISKDALARMTITEDK
PLFKQVFWIDEKRALRPMLAPNIFSVGRDLRDHTDGPVKIFEMGSCFRKE
SHSGMHLEEFTMLNLFDMGPRGDATEVLKNYISVVMKAAGLPDYDLVQEE
SDVFKETIDVEINGQEVCSAAVGPHYLDAAHDVHEPWSGAGFGLERLLTI
REKYSTVKKGGASISYLNGAKINL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8c49 Chain A Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c49 Engineering mutually orthogonal PylRS/tRNA pairs for dual encoding of functional histidine analogues.
Resolution1.82 Å
Binding residue
(original residue number in PDB)
D169 R173
Binding residue
(residue number reindexed from 1)
D167 R171
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.26: pyrrolysine--tRNA(Pyl) ligase.
Gene Ontology
Molecular Function
GO:0004812 aminoacyl-tRNA ligase activity
GO:0043767 pyrrolysyl-tRNA synthetase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8c49, PDBe:8c49, PDBj:8c49
PDBsum8c49
PubMed37051694
UniProtM9SC49

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