Structure of PDB 5t1p Chain C Binding Site BS01

Receptor Information
>5t1p Chain C (length=326) Species: 1316921 (Campylobacter jejuni BJ-CJGB96299) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DENLIKAAQAEGRVNSLAMPDTWANWKDTWADLKNLYDIEHSDTDMSSAQ
EIAKFKTEKKNASGDIGDVGASFGEIAVKQGVAQPFKTSYWDQIPTWAKD
KDGNWLLAYTGTIAFIVNKDVVKDIPKTWQDLLKGNYKITVGDVSVAAQA
VSAVLAANYALGGDEKDLSPALAFFNTLAKQGRLVNNDVSIANLEKGEVE
VGLVWDFNGLGYRDKVGKDRYEVLIPADGSVISGYTTIINKYAKHPNAAK
LAREFILSDKGQINLAKGYARPIRIDHITLPDDIKAKLLPSEQYKNARAI
KDQKAWEKSAKELPQLWQEKVIVDMK
Ligand information
Ligand IDGPE
InChIInChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1
InChIKeyJZNWSCPGTDBMEW-RXMQYKEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CO[P@](=O)(O)OC[C@@H](CO)O)N
OpenEye OEToolkits 1.5.0C(COP(=O)(O)OCC(CO)O)N
CACTVS 3.341NCCO[P](O)(=O)OC[CH](O)CO
CACTVS 3.341NCCO[P@@](O)(=O)OC[C@H](O)CO
ACDLabs 10.04O=P(OCC(O)CO)(OCCN)O
FormulaC5 H14 N O6 P
NameL-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE
ChEMBL
DrugBankDB15872
ZINCZINC000004095590
PDB chain5t1p Chain C 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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PDB5t1p Crystal structure of the putative periplasmic solute-binding protein from Campylobacter jejuni
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A40 W45 S69 S70 D90 A169 A170 Q171 D210 Y257
Binding residue
(residue number reindexed from 1)		A18 W23 S47 S48 D68 A147 A148 Q149 D188 Y235
Annotation score1
External links