2026-01-31_00000092|ligand|9LQL

Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1) complexed with heptyl 1-thio-beta-D-glucopyranoside; X-ray diffraction 3.35Å

Protein #1 780 residues (95% resolved)

Raw Sequence ...

MNHKVHHHHHHIEGRHMELGTLEGSEFMSERRDLKALISQMTLEEKASLCTGRDTWHTQPIERLGIPSVMMTDGPHGLRKQKAASDHLGLFDSVPSTCFPSAVGVASSWNRDLIERMGQALGKECQAENVAVLLGPGANIKRSPLCGRNFEYFSEDPYLSSEMAAHHIMGVQSQGVGTSLKHFAANNQEYRRMTSDSVVNERTLREIYLTSFEGAVKKARPWTVMCSYNKVNGEYAAENERLLTGILKQEWGHEGFVVSDWGAVNDRVKSLAAGLELEMPHEGAGTKQIIEAVESGQLAEEKLDLAVERLLTVIFRSVDQHKEGAVYDPEAHHKLAREIAAESMVLLKNEDRILPLKREGTIAVIGELAKVPRYQGSGSSQIKPTRLDDIVFELAASAGEHARVTYTQGYDLKSDDINAVLTEEALQAAKEASVAVLFAGLPKRYESEGFDRKHMRMPDNQIALIEAVAAVQPNLVVVLCNGAPIEMPWLPQAKAVLEAYLGGQALGGAIADLLFGDANPSGKLAETFPVQLSDNPSFLNFPGEGDRVEYREGLFVGYRYYDKKQLRPLFPFGHGLSYTTFAYSNLSVDKKEILDTETLKVCVNVKNTGERAGKEIVQLYVRDVESSVIRPLKELKGFDKVFLAPGEEKTLTFELGKRSFAYYDPSIKDWMVETGAFEILIGRSSQDIVLAETVMVRSTVSRKIVYHRNSTVADLMLTEKGAAFAQKLRGMIPFGETVGEEYAEMLEAFKESVPLRGLISFSAGRFTEEDLSKLLEYLNG

Canonical Sequence ...

Non polymer #2 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #3 HTG

InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1

SMILES: CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference