Structure of PDB 8bgy Chain D Binding Site BS02

Receptor Information

>8bgy Chain D (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 ID

QP3

InChI

InChI=1S/C16H12O5/c1-20-8-6-10-14(12(7-8)21-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3

InChIKey

MCHNUYTWURIGNT-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 3.1.0.0	COc1cc2c(c(c1)OC)C(=O)c3c(cccc3O)C2=O
CACTVS 3.385	COc1cc(OC)c2C(=O)c3c(O)cccc3C(=O)c2c1

Formula

C16 H12 O5

Name

1,3-dimethoxy-8-oxidanyl-anthracene-9,10-dione

PDB chain

8bgy Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8bgy A set of closely related methyltransferases for site-specific tailoring of anthraquinone pigments.
Resolution	1.95 Å
Binding residue (original residue number in PDB)	F84 M88 F139 M143 H229 N230 M258 F268 M272 Y307
Binding residue (residue number reindexed from 1)	F85 M89 F140 M144 H230 N231 M259 F269 M273 Y308
Annotation score	1

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:8bgy, PDBe:8bgy, PDBj:8bgy
PDBsum	8bgy
PubMed	36963398
UniProt	Q7MY08

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