Structure of PDB 6nie Chain B Binding Site BS03

Receptor Information
>6nie Chain B (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]
LKDVCAPLEKDDIRRLSQAFHRFGIVTVTELIEPHTRKLVRAEADRLLDQ
YAERRDLRLATTDYTRRSMSVVPSETIAANSELVTGLYAHRELLAPLEAI
AGERLHPCPKADEEFLITRQEQRGDTHGWHWGDFSFALIWVLQAPPIDVG
GLLQCVPHTTWDKASPQINRYLVENPIDTYHFESGDVYFLRTDTTLHRTI
PLREDTTRIILNMTWAGERDLSRKLAADDRWWDNAEVSAARAIK
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6nie Chain B Residue 304 [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)		H134 H137 Y195 H204 T206 R215 N219
Binding residue
(residue number reindexed from 1)		H127 H130 Y188 H197 T199 R208 N212
Annotation score5
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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