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Structure of PDB 6u4p Chain G Binding Site BS02

Receptor Information >6u4p Chain G (length=293) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ADSDINIKTGTTDIGSNTTVKTGDLVTYDKENGMAKKVFYSFIDDKNHNK KLLVIRTKGTIAGQYRVYSEEGANKSGLAWPSAFKVQLQLPDNEVAQISD YYPRNSIDTKEYMSTLTYGFNGNVTGDDTGKIGGLIGANVSIGHTLKYVQ PDFKTILESPTDKKVGWKVIFNNMVNQNWGPYDRDSWNPVYGNQLFMKTR NGSMKAADNFLDPNKASSLLSSGFSPDFATVITMDRKASKQQTNIDVIYE RVRDDYQLHWTSTNWKGTNTKDKWTDRSSERYKIDWEKEEMTN

Ligand information Ligand ID PQJ InChI InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22) InChIKey JOPCRKJIQSCIFM-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C CACTVS 3.385 CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C Formula C19 H43 N O4 P Name fos-choline-14; tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate ChEMBL DrugBank ZINC PDB chain 6u4p Chain G Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6u4p Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence. Resolution 2.49 Å Binding residue (original residue number in PDB) W179 G180 P181 Y182 N188 Q194 Binding residue (residue number reindexed from 1) W179 G180 P181 Y182 N188 Q194 Annotation score 1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0005515 protein binding GO:0042802 identical protein binding GO:0090729 toxin activity

	Biological Process
GO:0001897	symbiont-mediated cytolysis of host cell
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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