Structure of PDB 3sp1 Chain A Binding Site BS01

Receptor Information

>3sp1 Chain A (length=418) Species: 139 (Borreliella burgdorferi)

MILKLYNTRTKDFSELTNFENVKVYACGPTVYNYAHIGNFRTYIFGDLLI
KTLRFLGYKVNYAMNITDIGHLLTVYEISEFFTEAFFNDCRKLNIVYPDK
VLVASKHIPIMIEVVKILEEKKITYFSNGNVYFDTSCFKSYGEMAGFKRN
KTDFVLWFTNSKMKWDSPWGFGYPSWHLECAAMNLEYFKDALDIHLGGVD
HIGVHHINEIAIAECFLNKKWCDVFVHGEFLIMDFITVKDLEDQNFSPLD
FRYLCLTSHYRNQLKFSLDNLQASKIARENLINKLSYFYESLDPVDLNTL
NKDLKNFGFSVEKEYYDSFVEKISFDLNVAQGLALLWEIIKSDNLSFVSK
LRLAFIFDEIMSLNLREEILKNLQNHDVVIDENMKALIEERRIAKCEKNF
KRADEIRDFFAKKGFVLV

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: 3sp1 Chain A Residue 481

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sp1 Ligand co-crystallization of aminoacyl-tRNA synthetases from infectious disease organisms.
• Resolution: 2.55 Å
• Binding residue (original residue number in PDB): C27 C221 H246
• Binding residue (residue number reindexed from 1): C27 C180 H205
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.1.1.16: cysteine--tRNA ligase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004812 aminoacyl-tRNA ligase activity
• GO:0004817 cysteine-tRNA ligase activity
• GO:0005524 ATP binding
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006412 translation
• GO:0006418 tRNA aminoacylation for protein translation
• GO:0006423 cysteinyl-tRNA aminoacylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3sp1, PDBe:3sp1, PDBj:3sp1
• PDBsum: 3sp1
• PubMed: 28303005
• UniProt: O51545|SYC_BORBU Cysteine--tRNA ligase (Gene Name=cysS)