Structure of PDB 8flo Chain A Binding Site BS02

Receptor Information

>8flo Chain A (length=424) Species: 1348799 (Mycobacterium marinum ATCC BAA-535)

GLLPRVNGTPPPEVPLADIELGSLEFWGRDDDFRDGAFATLRREAPISFW
PPIELAGLTAGKGHWALTKHDDIHFASRHPEIFHSSPNIVIHDQTPELAE
YFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEASVRERAHRLVAAMIEN
HPDGQADLVSELAGPLPLQIICDMMGIPEEDHEQIFHWTNVILGFGDPDL
TTDFDEFLQVSMAIGGYATALADDRRVNHHGDLTTSLVEAEVDGERLSSS
EIAMFFILLVVAGNETTRNAISHGMLALSRYPDERAKWWSDFDGLAATAV
EEIVRWASPVVYMRRTLSQDVDLRGTKMAAGDKVTLWYCSANRDEEKFAD
PWTFDVTRNPNPQVGFGGGGAHFCLGANLARREIRVVFDELRRQMPDVVA
TEEPARLLSQFIHGIKRLPVAWSR

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 8flo Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8flo The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum.
• Resolution: 1.71 Å
• Binding residue (original residue number in PDB): G70 H101 K342
• Binding residue (residue number reindexed from 1): G61 H92 K333
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0005506 iron ion binding
• GO:0008395 steroid hydroxylase activity
• GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
• GO:0020037 heme binding
• GO:0036199 cholest-4-en-3-one 26-monooxygenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006707 cholesterol catabolic process

External links

• PDB: RCSB:8flo, PDBe:8flo, PDBj:8flo
• PDBsum: 8flo
• PubMed: 36842492
• UniProt: B2HHT9