Structure of PDB 8i2j Chain A Binding Site BS01

Receptor Information
>8i2j Chain A (length=321) 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
ELSRMTENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRDIAQ
RFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKDDNRNNVIGLLEDP
KSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIPELEK
QFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDGAEKA
SAHASRTLKAVYEAIGFVAKR
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 L131
Binding residue
(residue number reindexed from 1)		G90 W91 N94 L119
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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