Structure of PDB 8ukz Chain C Binding Site BS02

Receptor Information
>8ukz Chain C (length=370) Species: 2094022 (Micromonospora sp. MW-13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IYDPLAPSVIADPYPFYRKLRETNTVHWHEFLDSWVVTGYAECRQVLGDT
TNFGSDFRRIDVEIPDTQLSVQSLDPPEHGAIRHLLVSALHEQPLSTVRQ
QFAAIAAQHLAEGTVDLVSRFARPVALRTITAFLGVPPPDGAGFEQWSNA
IVRSMDAGIEPARAEPGNQARAELSRLVTHWLAEADERGFVGAARRAARA
QDVPAAVLANSLRAVLHAGYASVSRLLGGVLARLVRHPELLAGPATRDAD
EALVDELIRLDGPVQADARVCVRDQPVGAQLVRRGDVLVLFIAAANRDPA
VFPDPDAVRLTRRRGLHLAFGRGAHACLGAGLATLQLREVLGALRALAPA
GPAAYEPTATLRGLAELPVS
Ligand information
Ligand IDTFA
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKeyDTQVDTLACAAQTR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC(F)(F)C(=O)O
CACTVS 3.370OC(=O)C(F)(F)F
OpenEye OEToolkits 1.7.0C(=O)(C(F)(F)F)O
FormulaC2 H F3 O2
Nametrifluoroacetic acid
ChEMBLCHEMBL506259
DrugBank
ZINCZINC000003860798
PDB chain8ukz Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ukz Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Resolution1.95 Å
Binding residue
(original residue number in PDB)
R250 H254 L257 A324 V325
Binding residue
(residue number reindexed from 1)
R233 H237 L240 A307 V308
Annotation score1
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

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Molecular Function

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Biological Process
External links
PDB RCSB:8ukz, PDBe:8ukz, PDBj:8ukz
PDBsum8ukz
PubMed
UniProtA0A3E2YLT4

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