Structure of PDB 8u3n Chain B Binding Site BS02

Receptor Information
>8u3n Chain B (length=382) Species: 2094022 (Micromonospora sp. MW-13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIYDPLAPSVIADPYPFYRKLRETNTVHWHEFLDSWVVTGYAECRQVLGD
TTNFGSDFRRIDVEIPDTQLSVQSLDPPEHGAIRHLLVSALHEQPLSTVR
QQFAAIAAQHLAELSGQPGTVDLVSRFARPVALRTITAFLGVPPPDGAGF
EQWSNAIVRSMDAGIEPARAEPGNQARAELSRLVTHWLAEADERGFVGAA
RRAARAQDVPAAVLANSLRAVLHAGYESVSRLLGGVLARLVRHPELLAGP
ATRDADEALVDELIRLDGPVQADARVCVRDQPVGAQLVRRGDVLVLFIAA
ANRDPAVFPDPDAVRLTRRRGLHLAFGRGAHACLGAGLATLQLREVLGAL
RAGGLRLAPAGPAAYEPTATLRGLAELPVSVR
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain8u3n Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u3n Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Resolution2.15 Å
Binding residue
(original residue number in PDB)		W47 D303
Binding residue
(residue number reindexed from 1)		W36 D292
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
View graph for
Biological Process
External links
PDB RCSB:8u3n, PDBe:8u3n, PDBj:8u3n
PDBsum8u3n
PubMed
UniProtA0A3E2YLT4

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