Structure of PDB 7jsd Chain B Binding Site BS01

Receptor Information
>7jsd Chain B (length=256) Species: 1488406 (Streptomyces roseifaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVHEIDETLEKFLAENYTPERVQQLADRFQRTGFVKFDSHMRIVPEELI
TAVRAEADRLVREHKERRDLVLGTTGGTPRNLSVVKSQDVEQSDLIRAVT
RSEVLLTFLAGITRERIIPEVSDDERYLITHQEFASDTHGWHWDDYSFAF
NWALRMPPIASGGMVQAVPHTHWDKNAPRINETLCERQIDTYGLVSGDLY
LLRSDTTMHRTVPLTEDGAVRTMLVVSWSAERDLGKVLTGNDRWWENPEA
GAAQPV
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 B 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 H139 H142 W143 D144 S227 W244 W245
Binding residue
(residue number reindexed from 1)		R80 E125 H139 H142 W143 D144 S227 W244 W245
Annotation score4
External links