Structure of PDB 8i1z Chain A Binding Site BS01

Receptor Information
>8i1z Chain A (length=327) 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
ELSRMTQYAENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRD
IAQRFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKSDDNRNNVIGL
LEDPKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIP
ELEKQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDG
AEKASAHASRTLKAVYEAIGFVAKRHH
Ligand information
Ligand IDO7R
InChIInChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKeyMMVUJVASBDVNGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)c1ccc2OCCc2c1
OpenEye OEToolkits 2.0.7CC(=O)c1ccc2c(c1)CCO2
FormulaC10 H10 O2
Name1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
ChEMBL
DrugBank
ZINCZINC000004027271
PDB chain8i1z 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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PDB8i1z An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G92 W93 D127 L131
Binding residue
(residue number reindexed from 1)		G90 W91 D118 L122
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:8i1z, PDBe:8i1z, PDBj:8i1z
PDBsum8i1z
PubMed37070195
UniProtP00954|SYW_ECOLI Tryptophan--tRNA ligase (Gene Name=trpS)

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