Structure of PDB 3lkf Chain A Binding Site BS01

Receptor Information
>3lkf Chain A (length=292) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGKITPVSVKKVDDKVTLYKTTATADSDKFKISQILTFNFIKDKSYDKDT
LVLKATGNINSGFVKPNPNDYDFSKLYWGAKYNVSISSQSNDSVNVVDYA
PKNQNEEFQVQNTLGYTFGGDISISNGLTAFSETINYKQESYRTTLSRNT
NYKNVGWGVEAHKIMNNGWGPYGRDSFHPTYGNELFLAGRQSSAYAGQNF
IAQHQMPLLSRSNFNPEFLSVLSHRQDGAKKSKITVTYQREMDLYQIRWN
GFYWAGANYKNFKTRTFKSTYEIDWENHKVKLLDTKETENNK
Ligand information
Ligand IDPC
InChIInChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
InChIKeyYHHSONZFOIEMCP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC[N+](C)(C)C
CACTVS 3.341C[N+](C)(C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCOP(=O)(O)O
FormulaC5 H15 N O4 P
NamePHOSPHOCHOLINE
ChEMBLCHEMBL1235161
DrugBankDB03945
ZINCZINC000001532692
PDB chain3lkf Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lkf Crystal structure of staphylococcal LukF delineates conformational changes accompanying formation of a transmembrane channel.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W176 E191 L194 G196 R197
Binding residue
(residue number reindexed from 1)		W169 E184 L187 G189 R190
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0051715 cytolysis in another organism
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:3lkf, PDBe:3lkf, PDBj:3lkf
PDBsum3lkf
PubMed10048924
UniProtP0A077|HLGB_STAAU Gamma-hemolysin component B (Gene Name=hlgB)

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