Structure of PDB 9fcy Chain D Binding Site BS01
Receptor Information
>9fcy Chain D (length=212) Species:
58350
(Kitasatospora cystarginea) [
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TYDALKRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRE
RLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVV
SALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQ
HEAHVLASDTPAEEWAAGRERMKHDIPIDVETQIQWLRDAGFTTADCLAK
DWRFATYAGWNG
Ligand information
Ligand ID
ADE
InChI
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey
GFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0
c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04
n1c(c2ncnc2nc1)N
Formula
C5 H5 N5
Name
ADENINE
ChEMBL
CHEMBL226345
DrugBank
DB00173
ZINC
ZINC000000000882
PDB chain
9fcy Chain D Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
9fcy
Deciphering the SAM- and metal-dependent mechanism of O-methyltransferases in cystargolide and belactosin biosynthesis: A structure-activity relationship study.
Resolution
1.85 Å
Binding residue
(original residue number in PDB)
R78 D102 H103 S120
Binding residue
(residue number reindexed from 1)
R62 D86 H87 S104
Annotation score
4
External links
PDB
RCSB:9fcy
,
PDBe:9fcy
,
PDBj:9fcy
PDBsum
9fcy
PubMed
39121999
UniProt
A0A1W6R556
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