Structure of PDB 8qic Chain A Binding Site BS02

Receptor Information

>8qic Chain A (length=400) Species: 585034 (Escherichia coli IAI1)

DHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQE
VKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFN
QGLKSYRDLPLRMAEFGSCHRNEPSGSLHGLMRVRGFTQDDAHIFCTEEQ
IRDEVNGCIRLVYDMYSTFGFEKIVVKLSTRPEKRIGSDEMWDRAEADLA
VALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSR
LSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQV
VIMNITDSQSEYVNELTQKLSNAGIRVKADLRNEKIGFKIREHTLRRVPY
MLVCGDKEVESGKVAVRTRRGKDLGSMDVNEVIEKLQQEIRSRSLKQLEE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 8qic Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qic Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): C93 H144 H270
• Binding residue (residue number reindexed from 1): C92 H143 H269
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.1.1.3: threonine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004829 threonine-tRNA ligase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006435 threonyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8qic, PDBe:8qic, PDBj:8qic
• PDBsum: 8qic
• PubMed: 38558084
• UniProt: P0A8M3|SYT_ECOLI Threonine--tRNA ligase (Gene Name=thrS)