Structure of PDB 8ai5 Chain B Binding Site BS02

Receptor Information
>8ai5 Chain B (length=323) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGHMYNKTVSINLDSRCNASCDHCCFSSSPTSTTRMEKEYIRELVT
EFAKNKTIQVISFTGGEVFLDYKFLKELMEIIKPYEKQITLISNGFWGLS
KKKVQEYFHDMNSLNVIALTISYDEYHAPFVKSSSIKNILEHSRKYPDID
ISLNMAVTKDKMSNHILEELGDSILGVKITKFPMISVGAAKTRIKQENIH
KFYSLEDEDSLHCPGYDIVYHHDGEIYPCASPAIFETKITLREEYNQSFE
RTVEKLNSNLLLFILRKEGFKWFLNILKENNKIEEFDIPYEFSSICGVCG
SLFNSAEKINYFYPYMEKYYNEN
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8ai5 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ai5 Structural and mechanistic basis for RiPP epimerization by a radical SAM enzyme.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		C14 A16 C18 C21 S25 G59 N87 H120
Binding residue
(residue number reindexed from 1)		C21 A23 C25 C28 S32 G66 N94 H127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8ai5, PDBe:8ai5, PDBj:8ai5
PDBsum8ai5
PubMed38158457
UniProtQ45595|YYDG_BACSU Putative peptide biosynthesis protein YydG (Gene Name=yydG)

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