Structure of PDB 7o0e Chain A Binding Site BS03 |
| >7o0e Chain A (length=441) Species: 573729 (Thermothelomyces thermophilus ATCC 42464)
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TTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFSTTNG
AGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQLWV
SQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASGDWR
QAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAAEFI
RILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVTAHA
YTSQPGFSMNTPHPVWMTEAADLQGAWTSAWYSYGGAGEGWTWANNVYNA
IVNGNASAYLYWIGAQTGNTNSHMVHIDANAGTVEPSKRLWALGQWSRFV
RPGARRVAVSGASGSLRTAAFRNEDGSVAVVVINSGGDAAVNVRLAQPAS
AKAWATDNSRAIEEIQASFADGVATVNVPSRSMTTVVLYPA |
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| Ligand ID | GCV |
| InChI | InChI=1S/C7H12O7/c1-13-4-2(8)3(9)7(12)14-5(4)6(10)11/h2-5,7-9,12H,1H3,(H,10,11)/t2-,3-,4+,5+,7+/m1/s1 |
| InChIKey | WGLLPAPKWFDHHV-NRGGUMNKSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | COC1C(C(C(OC1C(=O)O)O)O)O | | OpenEye OEToolkits 1.5.0 | CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O | | CACTVS 3.341 | CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O | | CACTVS 3.341 | CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1C(O)=O | | ACDLabs 10.04 | O=C(O)C1OC(O)C(O)C(O)C1OC |
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| Formula | C7 H12 O7 |
| Name | 4-O-methyl-alpha-D-glucopyranuronic acid;
4-O-METHYL-ALPHA-D-GLUCURONIC ACID;
4-O-methyl-D-glucuronic acid;
4-O-methyl-glucuronic acid |
| ChEMBL | CHEMBL187785 |
| DrugBank | DB04303 |
| ZINC |
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| PDB chain | 7o0e Chain D Residue 3
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