Structure of PDB 8ej0 Chain G Binding Site BS01

Receptor Information
>8ej0 Chain G (length=568) Species: 627131 (Paralcaligenes ureilyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRRSQAWFGRLDRDGFIYRSWMKNRGIPHDQFDGRPVIGICNTFSELTPC
NSHFRTLAEQVKIGVWESGGFPLEFPVMSLGETMLRPTAMLFRNLASMDV
EESIRGNPLDGVVLLMGCDKTTPSLMMGAASCDLPTIGVSGGPMLSGKFR
GRELGSGTDVWKMSEEVRAGQMSQEEFFEAESCMHRSHGHCMTMGTASTM
ASMVEALGMSLPGNAAIPAVDARRNLLARASGRRIVQMVKDDLVMSKILT
RQAFENAIRVNAAIGGSTNAVIHLLAIAGRIGVDLTLADWDALGHKLPCL
VDLQPSGTHLMEDFYYAGGVPAVIRELGDVIARDALTVNGQTLWDNCKDA
PNWNREVIHAFNEPFKTEAGIAVLRGNLCPDGAVIKPSAATPALLKHKGR
AVVFENSEHMHERMDDENLDVDENCVLVLKNCGPRGYPGMAEAGNMPLPP
KILRKGITDMVRVSDARMSGTAYGTVVLHVAPEAAAGGPLALVQDGDIIE
LDVAARKLHLHVSDEELARRREAWQAPPAPMARGWVKLYVEHVQQANLGA
DLDFLRGKSGAGIPKDNH
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8ej0 Chain G Residue 601 [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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PDB8ej0 Crystal structure of Fe-S cluster-dependent dehydratase from Paralcaligenes ureilyticus in complex with Mg
Resolution2.59 Å
Binding residue
(original residue number in PDB)		C57 C125 D126 C198
Binding residue
(residue number reindexed from 1)		C50 C118 D119 C191
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8ej0, PDBe:8ej0, PDBj:8ej0
PDBsum8ej0
PubMed36385513
UniProtA0A4R3LQ44

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