Structure of PDB 7enb Chain B Binding Site BS01

Receptor Information
>7enb Chain B (length=271) Species: 1392255 (Aspergillus novofumigatus IBT 16806) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRTWCESEMLFVQPKEELYYRVTPKPGQTQANFNWTPHKVRFHDARPQRD
SFDLNTHGFTFVEDAISPQLIERIRADDTAAVEGDYFASVAALVKRVTGA
DHVVCFSPYTRKENSEKGIFGQPARTVHCDHTPAAAIELTHKLCGEDAVR
LLQSRFRAFSVWRPLVEPVLDWPLAVVDGRTIAPDDLHPVHWLRYEKKDT
EPPFQLSFSETQKWYYLSRQRSDEVSIVKNYDSEVVPSPRSAHCAFKHPF
VPKDAPPRESIDVRCLVFGGR
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 chain7enb Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7enb Molecular insights into the endoperoxide formation by Fe(II)/ alpha-KG-dependent oxygenase NvfI.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H135 D137 H250
Binding residue
(residue number reindexed from 1)		H128 D130 H243
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
View graph for
Biological Process
External links
PDB RCSB:7enb, PDBe:7enb, PDBj:7enb
PDBsum7enb
PubMed34285212
UniProtA0A2I1BSX0|NVFI_ASPN1 Fe(II)/2-oxoglutarate-dependent dioxygenase nvfI (Gene Name=nvfI)

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