Structure of PDB 7jsd Chain A Binding Site BS01

Receptor Information
>7jsd Chain A (length=254) Species: 1488406 (Streptomyces roseifaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHEIDETLEKFLAENYTPERVQQLADRFQRTGFVKFDSHMRIVPEELITA
VRAEADRLVREHKERRDLVLGTTGGTPRNLSVVKSQDVEQSDLIRAVTRS
EVLLTFLAGITRERIIPEVSDDERYLITHQEFASDTHGWHWDDYSFAFNW
ALRMPPIASGGMVQAVPHTHWDKNAPRINETLCERQIDTYGLVSGDLYLL
RSDTTMHRTVPLTEDGAVRTMLVVSWSAERDLGKVLTGNDRWWENPEAGA
AQPV
Ligand information
Ligand IDLYS
InChIInChI=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
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain7jsd Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7jsd Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R80 E125 L128 H139 H142 W143 D144 W244 W245
Binding residue
(residue number reindexed from 1)		R78 E123 L126 H137 H140 W141 D142 W242 W243
Annotation score4
External links