Structure of PDB 8crl Chain A Binding Site BS02

Receptor Information

>8crl Chain A (length=317) Species: 1639 (Listeria monocytogenes)

HMMYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQ
NTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHN
FAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHG
TLMYDLNLDNVAASLKRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVED
VKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDV
RLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDV
KEYFGNITKDEFLDLLY

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 8crl Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8crl A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): D328 Y331
• Binding residue (residue number reindexed from 1): D314 Y317
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.1.20: lipoate--protein ligase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0016979 lipoate-protein ligase activity
• GO:0017118 lipoyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009249 protein lipoylation
• GO:0036211 protein modification process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8crl, PDBe:8crl, PDBj:8crl
• PDBsum: 8crl
• PubMed: 37249408
• UniProt: A0A1D2IX29