2025-10-25_00000196|ligand|9LPH

Neutron structure of GH1 beta-glucosidase Td2F2 ligand-free form at room temperature; X-ray diffraction, neutron diffraction 1.19Å
Protein #1 457 residues (96% resolved)

MAGERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRAVDAPDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQRGKLAALEHHHHHH

MAGERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRAVDAPDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITENGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQRGKLAALEHHHHHH
Non polymer #2 DOD

InChI=1S/H2O/h1H2/i/hD2

[2H]O[2H]
Non polymer #3 NHE

InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)

C1CCC(CC1)NCCS(=O)(=O)O
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Reference