Structure of PDB 8fmf Chain A Binding Site BS02

Receptor Information
>8fmf Chain A (length=369) Species: 317 (Pseudomonas syringae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNTNDETKRIVWTQTAGHCELCGTDLTFDYRAGKPMKWGEVAHILPASPK
GPRGRADHDAEAHTNDTANLMLLCPGCHDKIDRDADGYPENDLSGLHQAY
LERIRLAATTPDGGRAIPLIVQSQHFQTINDIPVRDLLTAMSAEGLTAFD
QGIKIAFAAPGPRGRDTTYWQNVKDSVQYELEQQLKRRGGTYGDSPALAV
VGLADIPALMMLGQSIGDRSKRLIFSFHREHLLRWPDQSAEPPSFLFTPP
PNGDGPLALVLSISAQVPVRDVTDALPGARIAELSIPEPSYAMVQNRRVI
HAFRDALQIRLSQLEALTPDPIHVFAAIPAALAIEFGALLTTQHQHTYLI
FDRDKENQDRFTQTLQLGP
Ligand information
Ligand IDRWB
InChIInChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3
InChIKeyPLQZJIIDLZRWBG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
FormulaC25 H52 O13
Namedodecaethylene glycol monomethyl ether;
PEG-MME fragment n=12;
polyethylene glycol monomethyl ether fragment n=12;
PEG 550 MME
ChEMBL
DrugBank
ZINCZINC000072099668
PDB chain8fmf Chain A Residue 406 [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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PDB8fmf Activation of CBASS-Cap5 endonuclease immune effector by cyclic nucleotides: A view at high resolution
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K21 R22 W25 K50 V54
Binding residue
(residue number reindexed from 1)		K8 R9 W12 K37 V41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8fmf, PDBe:8fmf, PDBj:8fmf
PDBsum8fmf
PubMed38321146
UniProtA0A2P0QGK5

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