Structure of PDB 1pyy Chain A Binding Site BS02 |
| >1pyy Chain A (length=607) Species: 171101 (Streptococcus pneumoniae R6)
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PAKRGTIYDRNGVPIAEDATSYNVYANKVAEVFHKYLDMEESYVREQLVS
FGAKGNGITYANMMSPNRSYPNGQFASSFIGLAQLHENEDGSKSLLGTSG
MESSLNSILAGTDDGKDVYTTISSPLQSFMETQMDAFQEKVKGKYMTATL
VSAKTGEILATTQRPTFDADTKEGITEDFVWRDILYQSNYEPGSAFKVMM
LAAAIDNNTFPGGEVFNSSELKIADATIRDWDVNEGLTGGRMMTFSQGFA
HSSNVGMTLLEQKMGDATWLDYLNRFKFGVPTRFGLTDEYAGQLPADNIV
NIAQSSFGQGISVTQTQMIRAFTAIANDGVMLEPKFISAIYDPNDQTARK
SQKEIVGNPVSKDAASLTRTNMVLVGTDPVYGTMYNHSTGKPTVTVPGQN
VALKSGTAQIADEKNGGYLVGLTDYIFSAVSMSPAENPDFILYVTVQQPE
HYSGIQLGEFANPILERASAMKDSLNLQTTAKALEQVSQQSPYPMPSVKD
ISPGDLAEELRRNLVQPIVVGTGTKIKNSSAEEGKNLAPNQQVLILSDKA
EEVPDMYGWTKETAETLAKWLNIELEFQGSGSTVQKQDVRANTAIKDIKK
ITLTLGD |
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| Ligand ID | TRV |
| InChI | InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1 |
| InChIKey | UJGLCJCSHGMKFA-RUZUBIRVSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCCCCC(=O)OCC1C(C(C(O1)(CO)O)O)O | | CACTVS 3.385 | CCCCCCCC(=O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O | | ACDLabs 12.01 | OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1 | | CACTVS 3.385 | CCCCCCCC(=O)OC[CH]1O[C](O)(CO)[CH](O)[CH]1O |
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| Formula | C14 H26 O7 |
| Name | 6-O-octanoyl-beta-D-fructofuranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1pyy Chain B Residue 2
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