2026-04-04_00000046|medium|11TU

Crystal structure of alpha/beta-hydrolase macrolide esterase EstT from Bacillus cereus (S102A mutant) in complex with linearized tylvalosin; X-ray diffraction 1.70Å
Protein #1 284 residues (95% resolved)

MTEKIFKINGIDICTESFGNPKNPAILLIMGATCSMVYWDEEFCEQLANTGKFVIRFDNRDVGRSVTYEPGTSNYTVTNMAEDAIGVLDAYQIDKAHLFGMALGGMIAQIAAVKHPERILTLTLLATSVIGSDDNTRDLPPMDERILTHHANGTHLDWTNENVVAEYLVSGSRLLCGSKRIFDEKRVFKQVKQEIERASNLLSMFNHALLQGDDAYECVLHSIQAPTLVIHGTDDTALPFEHGLALIDEIPNSVLLTLEGAGHENHPDDWVDIIHAVTEHTSKI

MTEKIFKINGIDICTESFGNPKNPAILLIMGATCSMVYWDEEFCEQLANTGKFVIRFDNRDVGRSVTYEPGTSNYTVTNMAEDAIGVLDAYQIDKAHLFGMALGGMIAQIAAVKHPERILTLTLLATSVIGSDDNTRDLPPMDERILTHHANGTHLDWTNENVVAEYLVSGSRLLCGSKRIFDEKRVFKQVKQEIERASNLLSMFNHALLQGDDAYECVLHSIQAPTLVIHGTDDTALPFEHGLALIDEIPNSVLLTLEGAGHENHPDDWVDIIHAVTEHTSKI
Non polymer #2 A1DAR

InChI=1S/C53H93NO20/c1-16-37(57)36(26-67-52-49(66-15)48(65-14)44(62)31(7)69-52)22-28(4)17-18-38(58)29(5)23-35(19-20-55)46(30(6)39(24-40(59)60)71-34(10)56)74-51-45(63)43(54(12)13)47(32(8)70-51)73-42-25-53(11,64)50(33(9)68-42)72-41(61)21-27(2)3/h20,27-33,35-37,39,42-52,57,62-64H,16-19,21-26H2,1-15H3,(H,59,60)/t28-,29+,30-,31+,32+,33-,35-,36+,37+,39+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52+,53+/m0/s1

CC[C@H]([C@H](C[C@@H](C)CCC(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](CC(=O)O)OC(=O)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O
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Reference