2025-11-29_00000030|ligand|9HH0

Crystal structure of recombinant soman-aged swine butyrylcholinesterase; X-ray diffraction 2.66Å
Protein #1 529 residues (99% resolved)

EEDIIVTTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSMTKWPDIWNATKYANSCYQNTDQSFPGFVGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLHVYDGKFLSRVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAVSVSLHLLSPRSHPLFARAILQSGSSNAPWAVTSLYEARNRTLTLAKFIGCSRENETEIIKCLRNKDPQEILQNEVFVVPNHMLLSVNFGPTVDGDFLTDLPDTLLQLGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFEEGLKIFFPGVSEFGKESILFHYMDWTDDQRAENYRDALDDVVGDYDIICPALEFTKKFSEMGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRANYTKAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSNEQKYLTLNAESPRVYTKLRAQQCRFWTLFFPKV

EEDIIVTTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSMTKWPDIWNATKYANSCYQNTDQSFPGFVGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLHVYDGKFLSRVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAVSVSLHLLSPRSHPLFARAILQSGSSNAPWAVTSLYEARNRTLTLAKFIGCSRENETEIIKCLRNKDPQEILQNEVFVVPNHMLLSVNFGPTVDGDFLTDLPDTLLQLGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFEEGLKIFFPGVSEFGKESILFHYMDWTDDQRAENYRDALDDVVGDYDIICPALEFTKKFSEMGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRANYTKAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSNEQKYLTLNAESPRVYTKLRAQQCRFWTLFFPKV
Non polymer #2 EDO

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

C(CO)O
Non polymer #3 GB

InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)

CP(=O)(O)O
Non polymer #4 NAG

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Non polymer #5 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference