Structure of PDB 4x7r Chain A Binding Site BS06

Receptor Information
>4x7r Chain A (length=493) Species: 904724 (Staphylococcus aureus subsp. aureus 21178) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKIFMMVHELDVNKGGMTSSMFNRSKEFYDADIPADIVTFDYKGNYDEI
IKALKKQGKMDRRTKMYNVFEYFKQISNNKHFKSNKLLYKHISERLKNTI
EIEESKGISRYFDITTRTYIAYIRKSKSEKVIDFFKDNKRIERFSFIDNK
VHMKETFNVDNKVCYQVFYDEKGYPYISRNINANNGAVGKTYVLVNKKEF
KNNLALCVYYLEKLIKDSKDSIMICDGPGSFPKMFNTNHKNAQKYGVIHV
NHHENFDDTGAFKKSEKYIIENANKINGVIVLTEAQRLDILNQFDVENIF
TISNFVKIHNAPKHFQTEKIVGHISRMVPTKRIDLLIEVAELVVKKDNAV
KFHIYGEGSVKDKIAKMIEDKNLERNVFLKGYTTTPQKCLEDFKLVVSTS
QYEGQGLSMIEAMISKRPVVAFDIKYGPSDFIEDNKNGYLIENHNINDMA
DKILQLVNNDVLAAEFGSKARENIIEKYSTESILEKWLNLFNS
Ligand information
Ligand ID3YW
InChIInChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
InChIKeyBURZSZGRQNCGQJ-KEWAQLPFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)CO
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C(C(OC1OCC(CO)O)CO)O)O
OpenEye OEToolkits 1.9.2CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O
ACDLabs 12.01O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OC[CH](O)CO
FormulaC11 H21 N O8
Name(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside;
(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-D-glucoside;
(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-glucoside
ChEMBL
DrugBank
ZINCZINC000220951411
PDB chain4x7r Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x7r Structure and mechanism of Staphylococcus aureus TarM, the wall teichoic acid alpha-glycosyltransferase.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		G17 M18 H249 V250 N304 R326 E403 G404 G406
Binding residue
(residue number reindexed from 1)		G17 M18 H249 V250 N304 R326 E403 G404 G406
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.70: poly(ribitol-phosphate) alpha-N-acetylglucosaminyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity
GO:0047269 poly(ribitol-phosphate) N-acetylglucosaminyltransferase activity
Biological Process
GO:0019350 teichoic acid biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4x7r, PDBe:4x7r, PDBj:4x7r
PDBsum4x7r
PubMed25624472
UniProtA0A0H2WWV6|TARM_STAAC Poly(ribitol-phosphate) alpha-N-acetylglucosaminyltransferase (Gene Name=tarM)

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