2025-08-09_00000214
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ligand
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9D1S
Lucilia cuprina alpha esterase 7 directed evolution round 8;
X-ray diffraction 1.35Å
Protein #1
570 residues (99% resolved)
Raw Sequence ...
MNFNVSLMEKLKWKI(MLY)CIENKFLNYRLTTNETVVAETEYG(MLY)VKGV(MLY)RLTVYDDSYYSFEGIPYAQPPVGELRF(MLY)APQRPTPWDGVRDCCNH(MLZ)DKSVQVDFIAGKVCGSEDCLYLSVYTNNLNPET(MLY)RPVLVYIHGGDFIIGENHRDMYGPDYFI(M3L)KDVVLINIQYRLGALGFLSLNSEDLNVPGNAGLKDQVMALRWI(MLY)NNCANFGGNPDNITVFGESAGAASTHYMMLTEQTRGLFHRGILMSGNAICPWANTQCQHRAFTLA(MLY)LAGYKGEDNDKDVLEFLMKAKPQDLIKLEEKVLTLEERTNMVVFPFGPTVEPYQTADCVLPKHPREMVKTAWGNSIPTMMGNTSYEGLFFTSIL(MLY)QTPMLVKELETCANFVPSELADAERTAPETLEMGA(MLY)I(MLY)KAHVTGETPTADNFMDLCSHIYFWFPMHRLLQLRFNHTSGTPVYLYRFDFDSEDLINPYRIMRSGRGV(MLY)GVSHADELSYFFWNQLAKRMPKESREY(MLY)TIERMTGIWIQFATTGNPYSNEIEGMENVSWDPIKKSDEVY(MLY)CLNISDELKMIDVPEMD(MLY)I(MLY)QWESMFE(MLY)HRDLF
Canonical Sequence ...
MNFNVSLMEKLKWKIKCIENKFLNYRLTTNETVVAETEYGKVKGVKRLTVYDDSYYSFEGIPYAQPPVGELRFKAPQRPTPWDGVRDCCNHKDKSVQVDFIAGKVCGSEDCLYLSVYTNNLNPETKRPVLVYIHGGDFIIGENHRDMYGPDYFIKKDVVLINIQYRLGALGFLSLNSEDLNVPGNAGLKDQVMALRWIKNNCANFGGNPDNITVFGESAGAASTHYMMLTEQTRGLFHRGILMSGNAICPWANTQCQHRAFTLAKLAGYKGEDNDKDVLEFLMKAKPQDLIKLEEKVLTLEERTNMVVFPFGPTVEPYQTADCVLPKHPREMVKTAWGNSIPTMMGNTSYEGLFFTSILKQTPMLVKELETCANFVPSELADAERTAPETLEMGAKIKKAHVTGETPTADNFMDLCSHIYFWFPMHRLLQLRFNHTSGTPVYLYRFDFDSEDLINPYRIMRSGRGVKGVSHADELSYFFWNQLAKRMPKESREYKTIERMTGIWIQFATTGNPYSNEIEGMENVSWDPIKKSDEVYKCLNISDELKMIDVPEMDKIKQWESMFEKHRDLF
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
monomer
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Model
Reference
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