Structure of PDB 6h4m Chain A Binding Site BS01

Receptor Information
>6h4m Chain A (length=317) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKVSVIMPTFNNGEKLHRTISSVLNQTMKSTDYELIIIDDHSNDNGETL
NVIKKYKGLVRFKQLKKNSGNASVPRNTGLKMSKAEYVFFLDSDDLLHER
ALEDLYNYGKENNSDLIIGKYGVEGKGRSVPKAIFEKGNVAKADIIDNSI
FYALSVLKMFKKSVIDKNKIKFKTFSKTAEDQLFTIEFLMNSKNYSIKTD
YEYYIVVNDFSTGNQYFATINEIYKAIYKSPIYKNQEKRHQLAGKYTTRL
LRHGQKKNFANSKMKYEDKIEWLNNFSKTINKVPRDSDKYVTQIFNLKLE
AIRQNDLLAVMIADKLL
Ligand information
Ligand IDFQ8
InChIInChI=1S/C15H35O22P3/c16-1-7(17)13(23)9(19)3-34-39(29,30)36-5-11(21)15(25)12(22)6-37-40(31,32)35-4-10(20)14(24)8(18)2-33-38(26,27)28/h7-25H,1-6H2,(H,29,30)(H,31,32)(H2,26,27,28)/t7-,8-,9+,10+,11+,12-,13-,14-,15+/m0/s1
InChIKeyOFDIUZNQYOUSRP-VACZDDTMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O
OpenEye OEToolkits 2.0.6C(C(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O
FormulaC15 H35 O22 P3
Name
ChEMBL
DrugBank
ZINC
PDB chain6h4m Chain A Residue 401 [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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PDB6h4m Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		K132 A133 Y152 A153 L154 R262 H263
Binding residue
(residue number reindexed from 1)		K132 A133 Y152 A153 L154 R252 H253
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0019350 teichoic acid biosynthetic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6h4m, PDBe:6h4m, PDBj:6h4m
PDBsum6h4m
PubMed30464342
UniProtA0A0H3JNB0|TARP_STAAN Poly(ribitol-phosphate) beta-N-acetylglucosaminyltransferase TarP (Gene Name=tarP)

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