Structure of PDB 5u8z Chain C Binding Site BS01

Receptor Information

>5u8z Chain C (length=500) Species: 367110 (Neurospora crassa OR74A)

PEELPPAPRYFQGENTAGFMRPVRFEGDITNLEVVGEIPKSIEGTFYRVM
PEPHLPSFIPNDPWFNGDGNISGFYFKDGHVDLKQRYVRTEKFVREAEAR
RSLLGKYRNRYTDLVEFKIRSTANTNIVYWRGQLLALKEDSPPYAMDPET
LETFGVYDFDGQLPSLTFTAHPKFDPVTREMVCFGYEAKGDGTRDICYYS
FGPDGKIAETVWLVSPVCGMIHDFAVTENFVIFPIIPLVCDVERMKQGGD
HWQWDYSIPMYIGVLPRRGAQGSDVKWFEAPHGFAGHVANAFEDDKGHIQ
LQMAYAKDNVFFWWPDANGKGPRPGEVEAHFANFVLDYQSDKLPLAEPTY
LVDDDMEFPRIDDRVATRKHKHTFFCIFDRKPGVTDFEFVMPRAGGGAPM
SNGLAHLNHETGDIQRYLPGPRKLTGECIFIPRNSEAAEGDGYVMVLLAN
YEDMCSELAVLDTKDLTNEVALIKLPVRLRPGLHGNWVDKSDVDGHPAPL

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: 5u8z Chain C Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u8z Structure and Spectroscopy of Alkene-Cleaving Dioxygenases Containing an Atypically Coordinated Non-Heme Iron Center.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H197 H248 H313 H510
• Binding residue (residue number reindexed from 1): H171 H222 H287 H484
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.13.11.-

Gene Ontology

Molecular Function

• 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:5u8z, PDBe:5u8z, PDBj:5u8z
• PDBsum: 5u8z
• PubMed: 28493664
• UniProt: Q7S860|CAO1_NEUCR Carotenoid cleavage oxygenase 1 (Gene Name=cao-1)