2024-05-04_00000149
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medium
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8R56
Crystal structure of GH31 family Sulfoquinovosidase BmSQase in covalent complex with SQ-aziridine (SQZ);
X-ray diffraction 2.45Å
Protein #1
699 residues (96% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMSGTLNVTKGVNVEILQDGFEVALNGVVLLQHTIQKPMLFVGHGEETIEMYRGNFDIKDYVTERTALRYANVEEMEGAYKIDLSNLKNGDTMLSLIVKEEENRLKVEYQKNDANINRFWLRVAADKQEKVYGCGEQLSHFNMRGKNFPLWTSEPGVGRNKQTYVTWQADVVDKAGGDYYNTNFPQPTYVSSKKYYCHVETTAYADFDFRNEAFHELQVWEVPKYMLFETADTYLELVEKITGLFGRQPELPEWVYNGVVLGIQGGTDVVEQKLEKVLAKGMKVSGVWCQDWQGKRITSFGKRLMWNWKWNESEYPELDKKIAEWKENDIRFLGYINPYVAIEGDLYKEAEDKGYLALNTEGNTYLVDFGEFYCGVVDFTNEEATEWYKQVIKENMIDFGLDGWMADFGEYLPTDVVLKNRIDAKIMHNAWPTMWAKVNYEAVSEAGKLGEIVYFMRAGYTGIQKYCTLLWGGDQSVDWSLDDGLASVIPAALSSGMIGCGLHHSDIGGYTSLHGNKRSKELLMRWAEMGAFTPMMRTHEGNRPDDCFQFDGDEETLEHLARMSNVYVTMAPYIKSLVEENARRGIPVQRPLFMHYEEDEKTYDIQYQYLFGEDVLVAPVHQENQTEWEVYLPEDQWVHVWSGEAYTGGSVTVQAPLGYPPVFYRKKSIWSELFSKLIHI
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMSGTLNVTKGVNVEILQDGFEVALNGVVLLQHTIQKPMLFVGHGEETIEMYRGNFDIKDYVTERTALRYANVEEMEGAYKIDLSNLKNGDTMLSLIVKEEENRLKVEYQKNDANINRFWLRVAADKQEKVYGCGEQLSHFNMRGKNFPLWTSEPGVGRNKQTYVTWQADVVDKAGGDYYNTNFPQPTYVSSKKYYCHVETTAYADFDFRNEAFHELQVWEVPKYMLFETADTYLELVEKITGLFGRQPELPEWVYNGVVLGIQGGTDVVEQKLEKVLAKGMKVSGVWCQDWQGKRITSFGKRLMWNWKWNESEYPELDKKIAEWKENDIRFLGYINPYVAIEGDLYKEAEDKGYLALNTEGNTYLVDFGEFYCGVVDFTNEEATEWYKQVIKENMIDFGLDGWMADFGEYLPTDVVLKNRIDAKIMHNAWPTMWAKVNYEAVSEAGKLGEIVYFMRAGYTGIQKYCTLLWGGDQSVDWSLDDGLASVIPAALSSGMIGCGLHHSDIGGYTSLHGNKRSKELLMRWAEMGAFTPMMRTHEGNRPDDCFQFDGDEETLEHLARMSNVYVTMAPYIKSLVEENARRGIPVQRPLFMHYEEDEKTYDIQYQYLFGEDVLVAPVHQENQTEWEVYLPEDQWVHVWSGEAYTGGSVTVQAPLGYPPVFYRKKSIWSELFSKLIHI
Non polymer #2
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #3
Y2W
InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1
InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CS(=O)(=O)O)N
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)CS(=O)(=O)O)N
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
Tube
Model
Reference
100%