Structure of PDB 6gwg Chain A Binding Site BS01 |
| >6gwg Chain A (length=532) Species: 243274 (Thermotoga maritima MSB8)
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RGSHMASMEIFGKTFREGRFVLKEKNFTVEFAVEKIHLGWKISGRVKGSP
GRLEVLRTKAPEKVLVNNWQSWGPCRVVDAFSFKPPEIDPNWRYTASVVP
DVLERNLQSDYFVAEEGKVYGFLSSKIAHPFFAVEDGELVAYLEYFDVEF
DDFVPLEPLVVLEDPNTPLLLEKYAELVGMENNARVPKHTPTGWCSWYHY
FLDLTWEETLKNLKLAKNFPFEVFQIDDAYEKDIGDWLVTRGDFPSVEEM
AKVIAENGFIPGIWTAPFSVSETSDVFNEHPDWVVKENGEPKMAYRNWNK
KIYALDLSKDEVLNWLFDLFSSLRKMGYRYFKIDFLFAGAVPGERKKNIT
PIQAFRKGIETIRKAVGEDSFILGCGSPLLPAVGCVDGMRIGPDTAPFWG
EHIEDNGAPAARWALRNAITRYFMHDRFWLNDPDCLILREEKTDLTQKEK
ELYSYTCGVLDNMIIESDDLSLVRDHGKKVLKETLELLGGRPRVQNIMSE
DLRYEIVSSGTLSGNVKIVVDLNSREYHLEKE |
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| Ligand ID | FEK |
| InChI | InChI=1S/C7H11FO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,4-7,9-12H,2H2/t4-,5+,6+,7-/m1/s1 |
| InChIKey | GCEFMEUYUSFIFI-JRTVQGFMSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO | | OpenEye OEToolkits 2.0.6 | C1=C(C(C(C(C1O)F)O)O)CO | | CACTVS 3.385 | OCC1=C[CH](O)[CH](F)[CH](O)[CH]1O | | CACTVS 3.385 | OCC1=C[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O |
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| Formula | C7 H11 F O4 |
| Name | (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6gwg Chain A Residue 609
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| Enzyme Commision number |
3.2.1.22: alpha-galactosidase. |
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