Structure of PDB 8ukz Chain C Binding Site BS02
Receptor Information
>8ukz Chain C (length=370) Species:
2094022
(Micromonospora sp. MW-13) [
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IYDPLAPSVIADPYPFYRKLRETNTVHWHEFLDSWVVTGYAECRQVLGDT
TNFGSDFRRIDVEIPDTQLSVQSLDPPEHGAIRHLLVSALHEQPLSTVRQ
QFAAIAAQHLAEGTVDLVSRFARPVALRTITAFLGVPPPDGAGFEQWSNA
IVRSMDAGIEPARAEPGNQARAELSRLVTHWLAEADERGFVGAARRAARA
QDVPAAVLANSLRAVLHAGYASVSRLLGGVLARLVRHPELLAGPATRDAD
EALVDELIRLDGPVQADARVCVRDQPVGAQLVRRGDVLVLFIAAANRDPA
VFPDPDAVRLTRRRGLHLAFGRGAHACLGAGLATLQLREVLGALRALAPA
GPAAYEPTATLRGLAELPVS
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
Software
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
DrugBank
ZINC
ZINC000003860798
PDB chain
8ukz Chain C Residue 403 [
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Receptor-Ligand Complex Structure
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PDB
8ukz
Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Resolution
1.95 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 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
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:8ukz
,
PDBe:8ukz
,
PDBj:8ukz
PDBsum
8ukz
PubMed
UniProt
A0A3E2YLT4
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