Structure of PDB 6nie Chain C Binding Site BS02

Receptor Information
>6nie Chain C (length=244) Species: 1003195 (Streptantibioticus cattleyicolor NRRL 8057 = DSM 46488) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDVCAPLEKDDIRRLSQAFHRFGIVTVTELIEPHTRKLVRAEADRLLDQY
AERRDLRLATTDYTRRSMSVVPSETIAANSELVTGLYAHRELLAPLEAIA
GERLHPCPKADEEFLITRQEQRGDTHGWHWGDFSFALIWVLQAPPIDVGG
LLQCVPHTTWDKASPQINRYLVENPIDTYHFESGDVYFLRTDTTLHRTIP
LREDTTRIILNMTWAGERDLSRKLAADDRWWDNAEVSAARAIKD
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain6nie Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nie A family of radical halogenases for the engineering of amino-acid-based products.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H137 H204
Binding residue
(residue number reindexed from 1)		H129 H196
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.20.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0062147 L-lysine 4-chlorinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0062142 L-beta-ethynylserine biosynthetic process
GO:0062143 L-propargylglycine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6nie, PDBe:6nie, PDBj:6nie
PDBsum6nie
PubMed31548692
UniProtG8XHD5|BESD_STREN L-lysine 4-chlorinase (Gene Name=besD)

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