Structure of PDB 1lmc Chain A Binding Site BS01

Receptor Information
>1lmc Chain A (length=129) Species: 8022 (Oncorhynchus mykiss) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVYDRCELARALKASGMDGYAGNSLPNWVCLSKWESSYNTQATNRNTDGS
TDYGIFQINSRYWCDDGRTPGAKNVCGIRCSQLLTDDLTVAIRCAKRVVL
DPNGIGAWVAWRLHCQNQDLRSYVAGCGV
Ligand information
Ligand IDBUL
InChIInChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
InChIKeyRPNZWZDLNYCCIG-HMMVDTEZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[CH]1O[CH]2C[CH](N[CH]2CO)C(=O)NCC[S](O)(=O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OC2CC(NC2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
ACDLabs 10.04O=S(=O)(O)CCNC(=O)C2NC(C(OC1OC(C(OS(=O)(=O)O)C(O)C1NC(=O)C)CO)C2)CO
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O[S](O)(=O)=O)[C@@H](CO)O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCC[S](O)(=O)=O
FormulaC16 H29 N3 O14 S2
NameBULGECIN A
ChEMBLCHEMBL1231509
DrugBank
ZINCZINC000015489078
PDB chain1lmc Chain A Residue 130 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lmc Structure of a complex between bulgecin, a bacterial metabolite, and lysozyme from the rainbow trout.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E35 N46 T47 D52 Q57 I58 N59 Y62 W63 A107 W108 V109
Binding residue
(residue number reindexed from 1)		E35 N46 T47 D52 Q57 I58 N59 Y62 W63 A107 W108 V109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E35 N46 D48 S50 D52 N59
Catalytic site (residue number reindexed from 1) E35 N46 D48 S50 D52 N59
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1lmc, PDBe:1lmc, PDBj:1lmc
PDBsum1lmc
PubMed15299732
UniProtP11941|LYSC2_ONCMY Lysozyme C II

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