Structure of PDB 6vcf Chain F Binding Site BS01

Receptor Information

>6vcf Chain F (length=434) Species: 1078905 (Candidatus Nitrosotalea devanaterra)

QLGFSTLSEELDLESLKGTIIRNGPAKFEVGKEKFQHWFDGLAMLHKFSF
KEGKVSYANKFLESKAYQSARDTDKISYREFATDPCRVSSMFSTKFTDNA
NVNVTKIAERFVAMTETPLPVEFDINTLKTVGVFAYDDKIESGLTTAHPH
YDFVKNELVNYATKISRSSNYNVYKIADKTNHRNLIGSIPVEEPAYMHSF
AMTENYVVLVEYPFVVKPLDLLLSGKPFIENFSWKPENGTRFIIVNRQNG
NLVGTYKSDAFFAFHHVNAFEKQEEIFVDIIAYQDSSIVNALYLDILDTI
PTSHIRRYRIPLSGGQVEYEMLSSEAVELPRINYKQYNTKDYRFVYGINQ
LVKIDILRKSSKIWSEKDCYPGEPVFVGAPDATKEDEGLILSAVLDATNA
KSFLLILDATTFEEVARAEVPHHIPFGFHGNYFE

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 6vcf Chain F Residue 1000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vcf Structural basis for carotenoid cleavage by an archaeal carotenoid dioxygenase.
• Resolution: 2.687 Å
• Binding residue (original residue number in PDB): H172 H222 H289 H467
• Binding residue (residue number reindexed from 1): H148 H198 H265 H429
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003834 beta-carotene 15,15'-dioxygenase activity
• GO:0010436 carotenoid dioxygenase activity
• GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0016121 carotene catabolic process

External links

• PDB: RCSB:6vcf, PDBe:6vcf, PDBj:6vcf
• PDBsum: 6vcf
• PubMed: 32747548
• UniProt: A0A128A3G4