Structure of PDB 8i2j Chain B Binding Site BS01

Receptor Information
>8i2j Chain B (length=333) 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
GELSRMTQFKDKSARYAENINAGLFDYPVLMAADILLYQTNLVPVGEDQK
QHLELSRDIAQRFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKSDD
NRNNVIGLLEDPKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILS
AVTGQSIPELEKQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAF
LQQVMKDGAEKASAHASRTLKAVYEAIGFVAKR
Ligand information
Ligand IDO9F
InChIInChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKeyNTPLXRHDUXRPNE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)c1ccc(cc1)OC
CACTVS 3.385COc1ccc(cc1)C(C)=O
FormulaC9 H10 O2
Name1-(4-methoxyphenyl)ethanone
ChEMBLCHEMBL401912
DrugBank
ZINCZINC000000157405
PDB chain8i2j Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i2j An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		G92 W93 N96 V130 L131
Binding residue
(residue number reindexed from 1)		G91 W92 N95 V129 L130
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:8i2j, PDBe:8i2j, PDBj:8i2j
PDBsum8i2j
PubMed37070195
UniProtP00954|SYW_ECOLI Tryptophan--tRNA ligase (Gene Name=trpS)

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