Structure of PDB 5ol2 Chain C Binding Site BS03

Receptor Information

>5ol2 Chain C (length=378) Species: 1496 (Clostridioides difficile)

MDLNSKKYQMLKELYVSFAENEVKPLATELDEEERFPYETVEKMAKAGMM
GIPYPKEYGGEGGDTVGYIMAVEELSRVCGTTGVILSAHTSLGSWPIYQY
GNEEQKQKFLRPLASGEKLGAFGLTEPNAGTDASGQQTTAVLDGDEYILN
GSKIFITNAIAGDIYVVMAMTDKSKGNKGISAFIVEKGTPGFSFGVKEKK
MGIRGSATSELIFEDCRIPKENLLGKEGQGFKIAMSTLDGGRIGIAAQAL
GLAQGALDETVKYVKERVQFGRPLSKFQNTQFQLADMEVKVQAARHLVYQ
AAINKDLGKPYGVEAAMAKLFAAETAMEVTTKAVQLHGGYGYTRDYPVER
MMRDAKITEIYEGTSEVQRMVISGKLLK

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: 5ol2 Chain C Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ol2 The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): E29 E33
• Binding residue (residue number reindexed from 1): E29 E33
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): L124 T125 G241 G374
• Catalytic site (residue number reindexed from 1): L124 T125 G241 G374
• Enzyme Commision number: 1.3.8.1: short-chain acyl-CoA dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003995 acyl-CoA dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:0016937 short-chain fatty acyl-CoA dehydrogenase activity
• GO:0046872 metal ion binding
• GO:0050660 flavin adenine dinucleotide binding

External links

• PDB: RCSB:5ol2, PDBe:5ol2, PDBj:5ol2
• PDBsum: 5ol2
• PubMed: 29146947
• UniProt: A0A125V4E7