Structure of PDB 3kw0 Chain B Binding Site BS01

Receptor Information
>3kw0 Chain B (length=197) Species: 222523 (Bacillus cereus ATCC 10987) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGMGTDKFNNIKIDKYENLINVLKTGDIFLCSGNYLVSKLIKKVSESM
FSHTGIIVKWGEHTLIMESVEDDGVRIVPLEHYIKNYENSNNRYNGSLFI
ARHELLQNVNDDSEMIRNLIKVGFSLLNSGYDKNEIAQIVARIGLGIGRH
EDNNEYICSEFVNECFKKIGVEFLTDSFIFPEHIAADHHVLPIAQIE
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 chain3kw0 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3kw0 Structural Analysis of Papain-Like NlpC/P60 Superfamily Enzymes with a Circularly Permuted Topology Reveals Potential Lipid Binding Sites.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y33 S36 S48 H49 E67 D68 Y83 Y90
Binding residue
(residue number reindexed from 1)		Y37 S40 S52 H53 E71 D72 Y87 Y94
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links