Structure of PDB 5t0a Chain B Binding Site BS01 |
| >5t0a Chain B (length=677) Species: 83334 (Escherichia coli O157:H7)
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IEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVA
ATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNG
KLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNL
QEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKN
KHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTFK
GQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGA
VALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAA
SGRQTVDAALAAAQTNAAAKFNFTERDLTRDVDFNIKGDDVIVFLHIQKT
GGTTFGRHLVRNIRLEQPCDCKAGQKKCTCHRPGKQESWLFSRFSTGWSC
GLHADWTELTNCVPVIMDRNFYYITMLRDPVSRYLSEWKHVQRGATWKTS
LHMCDGRSPTQDELPTCYNGDDWSGVTLHDFMDCPSNLANNRQVRMLADL
SLVGCYNLSTMNESERNPILLASAKSNLKNMAFYGLTEFQRKTQYLFERT
FHLRFISAFTQINSTRAANVELRDDMRSRIEQLNMLDMQLYEFAKDLFLQ
RYQFVRQRERQEERLKRREERRWIRER |
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| Ligand ID | GNS |
| InChI | InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | PRDZVHCOEWJPOB-UKFBFLRUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.2 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O | | ACDLabs 12.01 | O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO | | CACTVS 3.370 | OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 1.7.2 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O | | CACTVS 3.370 | OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O |
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| Formula | C6 H13 N O8 S |
| Name | 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
N-SULFO-ALPHA-D-GLUCOSAMINE;
2-deoxy-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-2-(sulfoamino)-D-glucose;
2-deoxy-2-(sulfoamino)-glucose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000005830072
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| PDB chain | 5t0a Chain E Residue 4
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