Structure of PDB 3vo0 Chain A Binding Site BS02 |
| >3vo0 Chain A (length=466) Species: 240015 (Acidobacterium capsulatum ATCC 51196)
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SPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLR
TLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVIT
PEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLA
FQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDT
AYNTKWLVPFADKFKHDVKFISSHYYAEGPPTDPSMTIERLMKPNPRLLG
ETAGLKQVEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQA
AAGSTGINFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLG
AKLTDNSAAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGT
VLRLEAPRADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKA
SGALLEFAKLAAALQH |
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| Ligand ID | GUF |
| InChI | InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1 |
| InChIKey | LDVYRSUUUDDWHG-LVBGKUAWSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O | | OpenEye OEToolkits 1.7.6 | [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O | | ACDLabs 12.01 | FC1C(O)C(O)C(OC1O)C(=O)O | | OpenEye OEToolkits 1.7.6 | C1(C(C(OC(C1F)O)C(=O)O)O)O | | CACTVS 3.370 | O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O |
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| Formula | C6 H9 F O6 |
| Name | 2-deoxy-2-fluoro-beta-D-glucopyranuronic acid;
2-deoxy-2-fluoro-beta-glucuronide;
2-deoxy-2-fluoro-beta-D-glucuronic acid;
2-deoxy-2-fluoro-D-glucuronic acid;
2-deoxy-2-fluoro-glucuronic acid |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000098208971
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| PDB chain | 3vo0 Chain A Residue 502
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| Enzyme Commision number |
3.2.1.31: beta-glucuronidase. |
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