Structure of PDB 8i2a Chain A Binding Site BS01

Receptor Information
>8i2a Chain A (length=324) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPIVFSGAQPSGELTIGNYMGALRQWVNMQDDYHCIYCIVDQHAITVRQD
AQKLRKATLDTLALYLACGIDPEKSTIFVQSHVPEHAQLGWALNCYTYFG
ELSRMTAENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRDIA
QRFNALYGEIFKVPEPFIPKSARVMSLLEPTKKMSKSDDNRNNVIGLLED
PKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIPELE
KQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDGAEK
ASAHASRTLKAVYEAIGFVAKRHH
Ligand information
Ligand ID5OB
InChIInChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKeyILMHAGCURJPNRZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc2c(c1)[nH]cn2
ACDLabs 10.04n2c1ccc(OC)cc1nc2
CACTVS 3.341COc1ccc2nc[nH]c2c1
FormulaC8 H8 N2 O
Name5-METHOXYBENZIMIDAZOLE
ChEMBLCHEMBL449325
DrugBankDB04130
ZINCZINC000005424660
PDB chain8i2a Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i2a An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		A89 G92 W93 D127 V130
Binding residue
(residue number reindexed from 1)		A87 G90 W91 D116 V119
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.2: tryptophan--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004830 tryptophan-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006436 tryptophanyl-tRNA aminoacylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8i2a, PDBe:8i2a, PDBj:8i2a
PDBsum8i2a
PubMed37070195
UniProtP00954|SYW_ECOLI Tryptophan--tRNA ligase (Gene Name=trpS)

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