2024-02-24_00000143|ligand|8OZ1

CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor; X-ray diffraction 1.30Å
Protein #1 396 residues (94% resolved)

MGSSHHHHHHSSGLVPRGSHMASGLYPSYNTSPAAPDSTGMQSTAVQLAGKIRLGWNIGNTMEAIGGETAWGNPMVSNELLKLVKDSGFDAVRIPVAWDQYANQESAEISAAWLNRVKQVVQMAIDNELYVLINIHWDGGWLENNITPAKKDENNAKQKAFWEQIATHLRDFDEHLLFAGTNEPNAENAEQMDVLNSYLQTFVDAVRSTGGKNAYRVLVLQGPVTDIEKTNELWTHMPADTATDRLMAEVHFYTPYNFALMRQDESWGKQFYYWGEGFLSTTDTERNPTWGEEATIDQLFDLMKTKFVDQGIPVVLGEFSAMRRTNLTGDALTLHLAGRAYYHKYVTQQALARGLLPFYWDNGGNDNFSSGIFNRQQNTVFDQQVLDALLEGAGAQ

MGSSHHHHHHSSGLVPRGSHMASGLYPSYNTSPAAPDSTGMQSTAVQLAGKIRLGWNIGNTMEAIGGETAWGNPMVSNELLKLVKDSGFDAVRIPVAWDQYANQESAEISAAWLNRVKQVVQMAIDNELYVLINIHWDGGWLENNITPAKKDENNAKQKAFWEQIATHLRDFDEHLLFAGTNEPNAENAEQMDVLNSYLQTFVDAVRSTGGKNAYRVLVLQGPVTDIEKTNELWTHMPADTATDRLMAEVHFYTPYNFALMRQDESWGKQFYYWGEGFLSTTDTERNPTWGEEATIDQLFDLMKTKFVDQGIPVVLGEFSAMRRTNLTGDALTLHLAGRAYYHKYVTQQALARGLLPFYWDNGGNDNFSSGIFNRQQNTVFDQQVLDALLEGAGAQ
Non polymer #2 BO3

InChI=1S/BH3O3/c2-1(3)4/h2-4H

B(O)(O)O
Non polymer #3 RBH

InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1

C(COCCOCCOCC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)N=[N+]=N
Non polymer #4 XYS

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1

C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
Non polymer #5 YLL

InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1

C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
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Reference