Structure of PDB 2aru Chain A Binding Site BS01

Receptor Information

>2aru Chain A (length=247) Species: 2303 (Thermoplasma acidophilum)

MEGRLLLLETPGNTRMSLAYDEAIYRSFQYGDKPILRFYRHDRSVIIGYF
QVAEEEVDLDYMKKNGIMLARRYTGGGAVYHDLGDLNFSVVRSSDDMDIT
SMFRTMNEAVVNSLRILGLDARPGELNDVSIPVNKKTDIMAGEKKIMGAA
GAMRKGAKLWHAAMLVHTDLDMLSAVLKVPSTRERVANVTDFVDVSIDEV
RNALIRGFSETLHIDFREDTITEKEESLARELFDKKYSTEEWNMGLL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2aru Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2aru Crystal structure of lipoate-protein ligase A bound with the activated intermediate: insights into interaction with lipoyl domains
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): T137 D138 G148 A149
• Binding residue (residue number reindexed from 1): T137 D138 G148 A149
• Annotation score: 1

Enzymatic activity

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

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0016979 lipoate-protein ligase activity
• GO:0017118 lipoyltransferase activity
• GO:0031405 lipoic acid binding
• GO:0046872 metal ion binding

Biological Process

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

Cellular Component

• GO:0005737 cytoplasm
• GO:0032991 protein-containing complex

External links

• PDB: RCSB:2aru, PDBe:2aru, PDBj:2aru
• PDBsum: 2aru
• PubMed: 16141198
• UniProt: Q9HKT1|LPLAN_THEAC Lipoate-protein ligase A subunit 1 (Gene Name=lplA)