Structure of PDB 6nie Chain A Binding Site BS01

Receptor Information

>6nie Chain A (length=244) Species: 1003195 (Streptantibioticus cattleyicolor NRRL 8057 = DSM 46488)

LKDVCAPLEKDDIRRLSQAFHRFGIVTVTELIEPHTRKLVRAEADRLLDQ
YAERRDLRLATTDYTRRSMSVVPSETIAANSELVTGLYAHRELLAPLEAI
AGERLHPCPKADEEFLITRQEQRGDTHGWHWGDFSFALIWVLQAPPIDVG
GLLQCVPHTTWDKASPQINRYLVENPIDTYHFESGDVYFLRTDTTLHRTI
PLREDTTRIILNMTWAGERDLSRKLAADDRWWDNAEVSAARAIK

Ligand information

• Ligand ID: LYS
• InChI: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
• InChIKey: KDXKERNSBIXSRK-YFKPBYRVSA-O
• SMILES:
  CACTVS 3.341: N[CH](CCCC[NH3+])C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CCCC[NH3+]
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])C[C@@H](C(=O)O)N
  CACTVS 3.341: N[C@@H](CCCC[NH3+])C(O)=O
  OpenEye OEToolkits 1.5.0: C(CC[NH3+])CC(C(=O)O)N
• Formula: C6 H15 N2 O2
• Name: LYSINE
• PDB chain: 6nie Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nie A family of radical halogenases for the engineering of amino-acid-based products.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): R74 E120 L123 H134 H137 W138 W238 W239
• Binding residue (residue number reindexed from 1): R67 E113 L116 H127 H130 W131 W231 W232
• Annotation score: 5

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

External links

• PDB: RCSB:6nie, PDBe:6nie, PDBj:6nie
• PDBsum: 6nie
• PubMed: 31548692
• UniProt: G8XHD5|BESD_STREN L-lysine 4-chlorinase (Gene Name=besD)