Structure of PDB 9fcy Chain B Binding Site BS01

Receptor Information
>9fcy Chain B (length=212) Species: 58350 (Kitasatospora cystarginea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYDALKRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRE
RLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVV
SALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQ
HEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAK
DWRFATYAGWNG
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain9fcy Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9fcy Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		R78 D102 H103 S120
Binding residue
(residue number reindexed from 1)		R62 D86 H87 S104
Annotation score4
External links