Structure of PDB 8bih Chain I Binding Site BS02

Receptor Information
>8bih Chain I (length=319) Species: 243265 (Photorhabdus laumondii subsp. laumondii TTO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLTELIASNRRSAAIHAFVDTGLSTHFKDGIYVDISELSRKSGVNYARF
SRLCDFLVEMGVLVSNDNKFRLSDECHVFANPESFESFMIKLEICSHYSN
AWLMYGKSLFEDDGKSAFEMAHGRPFFEYLDGNKFLKSNFDALMTRVSNL
IVEKLLGIYDFNQHNRILDVGGGEGELLVRISEKVKGKHYAVLDRYSELP
VSDNIDFINGNFLNSIPSGYDLYILKNVLHNWSDSDSILILENFRKAMDK
NSSLLLINMVKEPEFSRSFDILMDVLFLGKERSFTEFEYLANQAGLVVQE
TKVIDQSYSPYSFIKLQIK
Ligand information
Ligand IDQOT
InChIInChI=1S/C16H12O5/c1-20-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)21-2/h3-7,17H,1-2H3
InChIKeyGAFPZYFLMZLWCQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1cccc2c1C(=O)c3c(cc(cc3O)OC)C2=O
CACTVS 3.385COc1cc(O)c2C(=O)c3c(OC)cccc3C(=O)c2c1
FormulaC16 H12 O5
Name3,8-dimethoxy-1-oxidanyl-anthracene-9,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8bih Chain I Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8bih A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M88 L91 E92 Y97 M143 H229 M258 F268 L271 Y307
Binding residue
(residue number reindexed from 1)		M89 L92 E93 Y98 M144 H230 M259 F269 L272 Y308
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:8bih, PDBe:8bih, PDBj:8bih
PDBsum8bih
PubMed36963398
UniProtQ7MY08

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