Structure of PDB 7de2 Chain A Binding Site BS03

Receptor Information
>7de2 Chain A (length=277) Species: 1392255 (Aspergillus novofumigatus IBT 16806) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGSRTWCESEMLFVQPDAGTKEELYYRVTPKPGQTQANFNWTPHKVRFHD
ARPQRDSFDLNTHGFTFVEDAISPQLIERIRADDTAAVEGDYFASVAALV
KRVTGADHVVCFSPYTRKENSEKGIFGQPARTVHCDHTPAAAIELTHKLC
GEDAVRLLQSRFRAFSVWRPLVEPVLDWPLAVVDGRTIAPDDLHPVHWLR
YEKKDTEPPFQLSFSETQKWYYLSRQRSDEVSIVKNYDSEVVPSPRSAHC
AFKHPFVPKDAPPRESIDVRCLVFGGR
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7de2 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7de2 Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H135 D137 H250
Binding residue
(residue number reindexed from 1)		H134 D136 H249
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0016114 terpenoid biosynthetic process
GO:0140782 novofumigatonin biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7de2, PDBe:7de2, PDBj:7de2
PDBsum7de2
PubMed34285212
UniProtA0A2I1BSX0|NVFI_ASPN1 Fe(II)/2-oxoglutarate-dependent dioxygenase nvfI (Gene Name=nvfI)

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