Structure of PDB 4wad Chain A Binding Site BS01

Receptor Information
>4wad Chain A (length=498) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDPFTMKKIFMMVHELDVNKGGMTSSMFNRSKEFYDADIPADIVTFDYKG
NYDEIIKALKKQGKMDRRTKMYNVFEYFKQISNNKHFKSNKLLYKHISER
LKNTIEIEESKGISRYFDITTGTYIAYIRKSKSEKVIDFFKDNKRIERFS
FIDNKVHMKETFNVDNKVCYQVFYDEKGYPYISRNINANNGAVGKTYVLV
NKKEFKNNLALCVYYLEKLIKDSKDSIMICDGPGSFPKMFNTNHKNAQKY
GVIHVNHHENFDDTGAFKKSEKYIIENANKINGVIVLTEAQRLDILNQFD
VENIFTISNFVKIHNAPKHFQTEKIVGHISRMVPTKRIDLLIEVAELVVK
KDNAVKFHIYGEGSVKDKIAKMIEDKNLERNVFLKGYTTTPQKCLEDFKL
VVSTSQYEGQGLSMIEAMISKRPVVAFDIKYGPSDFIEDNKNGYLIENHN
INDMADKILQLVNNDVLAAEFGSKARENIIEKYSTESILEKWLNLFNS
Ligand information
Ligand IDUD1
InChIInChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
InChIKeyLFTYTUAZOPRMMI-CFRASDGPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
ACDLabs 10.04O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
FormulaC17 H27 N3 O17 P2
NameURIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
ChEMBLCHEMBL388154
DrugBankDB03397
ZINCZINC000008551100
PDB chain4wad Chain A Residue 501 [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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PDB4wad Structural and Enzymatic Analysis of TarM Glycosyltransferase from Staphylococcus aureus Reveals an Oligomeric Protein Specific for the Glycosylation of Wall Teichoic Acid.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G17 H249 V250 I324 G356 Y382 T383 E403 G404 L407 S408
Binding residue
(residue number reindexed from 1)		G22 H254 V255 I329 G361 Y387 T388 E408 G409 L412 S413
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.52: poly(glycerol-phosphate) alpha-glucosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0047265 poly(glycerol-phosphate) alpha-glucosyltransferase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4wad, PDBe:4wad, PDBj:4wad
PDBsum4wad
PubMed25697358
UniProtA0A0D6HUA0

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