Structure of PDB 8vpo Chain A Binding Site BS01

Receptor Information
>8vpo Chain A (length=448) Species: 191027 (Paramaledivibacter caminithermalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSRELLLSKYVNTIKKDDNSFRLFHSIHGGLCEVDNEIYKVLNYLKKSRL
LTDIYNEFSYIDNSEINDIVNEFFEKGFIIYNGQNEIESYREHEKRRINR
IETGEQIKAIQLVVSNKCNYIYSSKEREIYQKHDKNQIMTPENAINYIEK
VIEKIIKANNKELSIQFFGGEPLTNWNTIERVLDHYKNEDRLKIDYSIVT
NGALITPKISEYLKKYNVPVIMSFDSPNRSIKNTIKSLEILKENNNYIAF
NSVLSRDTFDYFNNDIVDFAQNYNVSEIGILLDLNPSFYKDFNLDDIVNK
VIDLYEYGLDNGIIVTGYWHITYQNIIMNKSIDRGYKTCSATGGQLSIEP
MGVVFACKGSSGYFGNMNDLEGLLSCENYIKYASRSFINSNNCINCELIG
HCSGLCLGAIEKKYGNIMYMDKGACDLYKLLIRRLIEREKNIFRYDID
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 chain8vpo Chain A Residue 501 [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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PDB8vpo Structural, Biochemical, and Bioinformatic Basis for Identifying Radical SAM Cyclopropyl Synthases.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		N410 C414 C417 L419 I420 C423 M441 C446
Binding residue
(residue number reindexed from 1)		N389 C393 C396 L398 I399 C402 M420 C425
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.-.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016829 lyase 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:8vpo, PDBe:8vpo, PDBj:8vpo
PDBsum8vpo
PubMed38295270
UniProtA0A1M6T2I7|TIGE_PARC5 Radical SAM cyclopropyl synthase TigE (Gene Name=tigE)

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