Structure of PDB 8bh0 Chain A Binding Site BS02

Receptor Information
>8bh0 Chain A (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 IDQPO
InChIInChI=1S/C15H10O5/c1-20-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKeyZMPLLBBFALVVAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
OpenEye OEToolkits 3.1.0.0COc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O
FormulaC15 H10 O5
Name3-methoxy-1,8-bis(oxidanyl)anthracene-9,10-dione
ChEMBL
DrugBank
ZINC
PDB chain8bh0 Chain A 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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PDB8bh0 A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M88 Y97 L142 M143 M258 F268 L271 Y307
Binding residue
(residue number reindexed from 1)		M89 Y98 L143 M144 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:8bh0, PDBe:8bh0, PDBj:8bh0
PDBsum8bh0
PubMed36963398
UniProtQ7MY08

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