Structure of PDB 8j3o Chain C Binding Site BS02

Receptor Information

>8j3o Chain C (length=367) Species: 573826 (Candida dubliniensis CD36)

GKPKVLMALYSGGKHAKEEPRLLGTVENELGIRKLVEEHGYELVTTADKD
PFPSSTFDKNLPDAEIIITTPFFPAYVTKERIAKAPKLKLCVTAGVGSDH
YDLNALNERGIAVLEVTGSNVQSVAEHAIMTMLILLRNYGEGHAQATQGT
WDIAAVAKDEFDMEDKVFATIGAGRIGYRILERLIAFNPKKLLYYDYQPL
PEEAINKLNAASKLFNGVDNIIERVENLEDLVSQADVVTLNCPLYKSKGM
FNKELISKMKKGSYVINTARGALTDPQAIADAVNSGHIAYGGDVWPVQPA
PKDMPWRTMHNPYGKDYGNAMTVHVSGTSLDAQARYANGVKQILTEYFDK
TYKYRPQDVICIDGHYA

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: 8j3o Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8j3o Engineering a Formate Dehydrogenase for NADPH Regeneration.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): L136 L137 D160 F162 Y266
• Binding residue (residue number reindexed from 1): L135 L136 D159 F161 Y264
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.17.1.9: formate dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008863 formate dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046872 metal ion binding
• GO:0051287 NAD binding

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0042183 formate catabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8j3o, PDBe:8j3o, PDBj:8j3o
• PDBsum: 8j3o
• PubMed: 37455264
• UniProt: B9WHT3