Structure of PDB 8u2m Chain B Binding Site BS01

Receptor Information
>8u2m 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 IDMRY
InChIInChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
InChIKeyUNXHWFMMPAWVPI-ZXZARUISSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0C(C(C(CO)O)O)O
ACDLabs 10.04OCC(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@H](CO)O)O)O
CACTVS 3.341OC[C@@H](O)[C@@H](O)CO
FormulaC4 H10 O4
NameMESO-ERYTHRITOL
ChEMBLCHEMBL349605
DrugBankDB04481
ZINCZINC000017971067
PDB chain8u2m Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8u2m Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis
Resolution1.79 Å
Binding residue
(original residue number in PDB)		E104 A210 R213 A214
Binding residue
(residue number reindexed from 1)		E93 A199 R202 A203
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:8u2m, PDBe:8u2m, PDBj:8u2m
PDBsum8u2m
PubMed
UniProtA0A3E2YLT4

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