Structure of PDB 1b8a Chain A Binding Site BS01

Receptor Information
>1b8a Chain A (length=438) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYRTHYSSEITEELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITA
PKKKVDPELFKLIPKLRSEDVVAVEGVVNFTPKAKLGFEILPEKIVVLNR
AETPLPLDPTGKVKAELDTRLNNRFMDLRRPEVMAIFKIRSSVFKAVRDF
FHENGFIEIHTPKIIATATEGGTELFPMKYFEEDAFLAESPQLYKEIMMA
SGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERL
VAHAINYVREHNAKELDILNFELEEPKLPFPRVSYDKALEILGDLGKEIP
WGEDIDTEGERLLGKYMMENENAPLYFLYQYPSEAKPFYIMKYDNKPEIC
RAFDLEYRGVEISSGGQREHRHDILVEQIKEKGLNPESFEFYLKAFRYGM
PPHGGFGLGAERLIKQMLDLPNIREVILFPRDRRRLTP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1b8a Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b8a Crystal structure of aspartyl-tRNA synthetase from Pyrococcus kodakaraensis KOD: archaeon specificity and catalytic mechanism of adenylate formation.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E361 S364
Binding residue
(residue number reindexed from 1)		E361 S364
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.12: aspartate--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004815 aspartate-tRNA ligase activity
GO:0005524 ATP binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006422 aspartyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0017101 aminoacyl-tRNA synthetase multienzyme complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1b8a, PDBe:1b8a, PDBj:1b8a
PDBsum1b8a
PubMed9724658
UniProtQ52428|SYD_THEKO Aspartate--tRNA(Asp) ligase (Gene Name=aspS)

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