Structure of PDB 8i2a Chain B Binding Site BS02

Receptor Information
>8i2a Chain B (length=329) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKPIVFSGAQPSGELTIGNYMGALRQWVNMQDDYHCIYCIVDQHAITVRQ
DAQKLRKATLDTLALYLACGIDPEKSTIFVQSHVPEHAQLGWALNCYTYF
GELSRMTQFKDKSENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLE
LSRDIAQRFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKSDDNRNN
VIGLLEDPKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTG
QSIPELEKQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQV
MKDGAEKASAHASRTLKAVYEAIGFVAKR
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)		G92 W93 N96 D127
Binding residue
(residue number reindexed from 1)		G91 W92 N95 D122
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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