Structure of PDB 6c8v Chain A Binding Site BS01

Receptor Information
>6c8v Chain A (length=312) Species: 408 (Methylorubrum extorquens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIPAPVGLLAELTHRCRSAELDTQTWLRVLTEAAGLGVLHVHLSGGEPTA
RPDIVEITAKCAELGLYSNLITSGVGGALAKLDALYDVGLDHVQLSVQGA
QPQKMQFAARVTELGLPLTLNSVIHRGNIHEVPGFIDLAVKLGAKRLEVA
HTQYYGWAYVNRAALMPDKSQVDESIRIVEAARERLKGQLVIDLVVPDYY
AKYPKACAGGWGRKLMNVTPQGKVLPCHAAETIPGLEFWYVTDHALGEIW
TKSPAFAAYRGTSWMKEPCRSCDRREKDWGGCRCQALALTGDAANTDPAC
SLSPLHAKMRDL
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 chain6c8v Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c8v X-ray and EPR Characterization of the Auxiliary Fe-S Clusters in the Radical SAM Enzyme PqqE.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C248 C268 C323 C325
Binding residue
(residue number reindexed from 1)		C207 C227 C282 C284
Annotation score1
Enzymatic activity
Enzyme Commision number 1.21.98.4: PqqA peptide cyclase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0009975 cyclase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0018189 pyrroloquinoline quinone biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6c8v, PDBe:6c8v, PDBj:6c8v
PDBsum6c8v
PubMed29405700
UniProtP71517|PQQE_METEA PqqA peptide cyclase (Gene Name=pqqE)

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