Structure of PDB 1lsp Chain A Binding Site BS01

Receptor Information
>1lsp Chain A (length=185) Species: 8868 (Cygnus atratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTDCYGNVNRIDTTGASCKTAKPEGLSYCGVPASKTIAERDLKAMDRYKT
IIKKVGEKLCVEPAVIAGIISRESHAGKVLKNGWGDRGNGFGLMQVDKRS
HKPQGTWNGEVHITQGTTILTDFIKRIQKKFPSWTKDQQLKGGISAYNAG
AGNVRSYARMDIGTTHDDYANDVVARAQYYKQHGY
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 chain1lsp Chain A Residue 295 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lsp Structure of a bulgecin-inhibited g-type lysozyme from the egg white of the Australian black swan. A comparison of the binding of bulgecin to three muramidases.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		E73 G85 R87 G88 N89 G90 Q95 D97 H101 F123 Y147 N148
Binding residue
(residue number reindexed from 1)		E73 G85 R87 G88 N89 G90 Q95 D97 H101 F123 Y147 N148
Annotation score1
Enzymatic activity
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:0009253 peptidoglycan catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1lsp, PDBe:1lsp, PDBj:1lsp
PDBsum1lsp
PubMed15299731
UniProtP00717|LYG_CYGAT Lysozyme g

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