Structure of PDB 8u2m Chain B Binding Site BS03

Receptor Information

>8u2m Chain B (length=382) Species: 2094022 (Micromonospora sp. MW-13)

PIYDPLAPSVIADPYPFYRKLRETNTVHWHEFLDSWVVTGYAECRQVLGD
TTNFGSDFRRIDVEIPDTQLSVQSLDPPEHGAIRHLLVSALHEQPLSTVR
QQFAAIAAQHLAELSGQPGTVDLVSRFARPVALRTITAFLGVPPPDGAGF
EQWSNAIVRSMDAGIEPARAEPGNQARAELSRLVTHWLAEADERGFVGAA
RRAARAQDVPAAVLANSLRAVLHAGYESVSRLLGGVLARLVRHPELLAGP
ATRDADEALVDELIRLDGPVQADARVCVRDQPVGAQLVRRGDVLVLFIAA
ANRDPAVFPDPDAVRLTRRRGLHLAFGRGAHACLGAGLATLQLREVLGAL
RAGGLRLAPAGPAAYEPTATLRGLAELPVSVR

Ligand information

• Ligand ID: TFA
• InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: FC(F)(F)C(=O)O
  CACTVS 3.370: OC(=O)C(F)(F)F
  OpenEye OEToolkits 1.7.0: C(=O)(C(F)(F)F)O
• Formula: C2 H F3 O2
• Name: trifluoroacetic acid
• ChEMBL: CHEMBL506259
• ZINC: ZINC000003860798
• PDB chain: 8u2m Chain B Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u2m Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): R250 H254 L257 V325
• Binding residue (residue number reindexed from 1): R239 H243 L246 V314
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.-.-

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:8u2m, PDBe:8u2m, PDBj:8u2m
• PDBsum: 8u2m
• UniProt: A0A3E2YLT4