2025-01-11_00000118
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ligand
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8WN5
Crystal structure of GH1 beta-glucosidase Td2F2 E352Q glucose complex;
X-ray diffraction 1.50Å
Protein #1
465 residues (95% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMAGERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRAVDAPDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITQNGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQRG
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMAGERFPADFVWGAATAAYQIEGAVREDGRGVSIWDTFSHTPGKIADGTTGDVACDSYHRYGEDIGLLNALGMNAYRFSIAWPRIVPLGAGPINQAGLDHYSRMVDALLGAGLQPFVTLYHWDLPQPLEDRLGWGSRATATVFAEYADIVVRQLGDRVTHWATLNEPWCSAMLGYYLGVHAPGHTDLKRGLEASHNLLLGHGLAVQAMRAAAPQPLQIGIVLNLTPTYPASDSPEDVAAARRFDGFVNRWFLDPLAGRGYPQDMLDYYGAAAPQANPEDLTQIAAPLDWLGVNYYERMRAVDAPDASLPQAQRLDDPDLPHTADREVYPEGLYDILLRLHNDYPFRPLYITQNGCALHDEIAEDGGIHDGQRQAFFEAHLAQLQRALAAGVPLKGYFAWSLLDNFEWAMGLSMRYGICYTNFETLERRIKDSGYWLRDFIAGQRG
Non polymer #2
BGC
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
Non polymer #3
MLA
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
SMILES: C(C(=O)O)C(=O)O
C(C(=O)O)C(=O)O
Non polymer #4
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)
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)
SMILES: C1CCC(CC1)NCCS(=O)(=O)O
C1CCC(CC1)NCCS(=O)(=O)O
Biounit #1
monomer
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Model
Reference
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