Structure of PDB 1ktw Chain A Binding Site BS02 |
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| Ligand ID | DGS |
| InChI | InChI=1S/C6H10O8S/c7-3-2-1-12-4(3)5(6(8)13-2)14-15(9,10)11/h2-8H,1H2,(H,9,10,11)/t2-,3+,4+,5-,6+/m1/s1 |
| InChIKey | BBGPRYFPTZDJIZ-PHYPRBDBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.0 | C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)O)O | | CACTVS 3.352 | O[CH]1O[CH]2CO[CH]([CH]2O)[CH]1O[S](O)(=O)=O | | ACDLabs 11.02 | O=S(=O)(O)OC1C2OCC(OC1O)C2O | | OpenEye OEToolkits 1.7.0 | C1C2C(C(O1)C(C(O2)O)OS(=O)(=O)O)O | | CACTVS 3.352 | O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O[S](O)(=O)=O |
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| Formula | C6 H10 O8 S |
| Name | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose;
3,6-ANHYDRO-D-GALACTOSE-2-SULFATE;
3,6-anhydro-2-O-sulfo-alpha-D-galactose;
3,6-anhydro-2-O-sulfo-D-galactose;
3,6-anhydro-2-O-sulfo-galactose |
| ChEMBL | |
| DrugBank | DB01981 |
| ZINC | ZINC000005851134
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| PDB chain | 1ktw Chain C Residue 2
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| Enzyme Commision number |
3.2.1.157: iota-carrageenase. |
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