Structure of PDB 4zfm Chain C Binding Site BS01 |
| >4zfm Chain C (length=461) Species: 1422 (Geobacillus stearothermophilus)
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HLKPFPPEFLWGAASAAYQVEGAWNEDGKGLSVWDVFAKQPGRTFKGTNG
DVAVDHYHRYQEDVALMAEMGLKAYRFSVSWSRVFPDGNGAVNEKGLDFY
DRLIEELRNHGIEPIVTLYHWDVPQALMDAYGAWESRRIIDDFDRYAVTL
FQRFGDRVKYWVTLNQQNIFISFGYRLGLHPPGVKDMKRMYEANHIANLA
NAKVIQSFRHYVPDGKIGPSFAYSPMYPYDSRPENVLAFENAEEFQNHWW
MDVYAWGMYPQAAWNYLESQGLEPTVAPGDWELLQAAKPDFMGVNYYQTT
TVEHNPPDGVGTSSGIPGLFKTVRNPHVDTTNWDWAIDPVGLRIGLRRIA
NRYQLPILITENGLGEFDTLEPGDIVNDDYRIDYLRRHVQEIQRAITDGV
DVLGYCAWSFTDLLSWLNGYQKRYGFVYVNRDDESEKDLRRIKKKSFYWY
QRVIETNGAEL |
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| Ligand ID | 0WK |
| InChI | InChI=1S/C6H13O8P/c7-3-1-13-4(6(9)5(3)8)2-14-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+,6+/m0/s1 |
| InChIKey | KAJAXXUCVJFKFM-SLPGGIOYSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C1C(C(C(C(O1)COP(=O)(O)O)O)O)O | | CACTVS 3.370 | O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O | | ACDLabs 12.01 | O=P(O)(O)OCC1OCC(O)C(O)C1O | | OpenEye OEToolkits 1.7.6 | C1[C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O | | CACTVS 3.370 | O[CH]1CO[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
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| Formula | C6 H13 O8 P |
| Name | 1,5-anhydro-6-O-phosphono-D-glucitol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4zfm Chain C Residue 506
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