2025-03-01_00000212|ligand|9DRH

Crystal structure of Tet(X7) bound to anhydrotetracycline C10-benzoate ester; X-ray diffraction 3.30Å
Protein #1 398 residues (92% resolved)

MGSSHHHHHHSSGLVPRGSHMTLLKNKKITIIGAGPVGLTMARLLQQNRVDVTVYERDKDRDARIFGGTLDLHRDSGQEAMKRAGLLQTYYDLALPMGVNIADEKGNILTTKNVKPENRFDNPEINRNDLRTILLNSLQNDTVIWDRKLVTLEPDKEKWTLTFEDKPSETADLVIIANGGMSKVRKFVTDTEVEETGTFNIQADIHQPEVNCPGFFQLCNGNRLMAAHQGNLLFANPNNNGALHFGISFKTSDEWKSKTLVDFQDRNSVVDFLLKKFSDWDERYKELIRVTSSFVGLATRIFPLGKSWKSKRPLPITMIGDAAHLMPPFAGQGVNSGLMDALILSDNLTNGKFNSIEEAIENYEQQMFAYGREAQAESIINETEMFSSDFSFQKLMNL

MGSSHHHHHHSSGLVPRGSHMTLLKNKKITIIGAGPVGLTMARLLQQNRVDVTVYERDKDRDARIFGGTLDLHRDSGQEAMKRAGLLQTYYDLALPMGVNIADEKGNILTTKNVKPENRFDNPEINRNDLRTILLNSLQNDTVIWDRKLVTLEPDKEKWTLTFEDKPSETADLVIIANGGMSKVRKFVTDTEVEETGTFNIQADIHQPEVNCPGFFQLCNGNRLMAAHQGNLLFANPNNNGALHFGISFKTSDEWKSKTLVDFQDRNSVVDFLLKKFSDWDERYKELIRVTSSFVGLATRIFPLGKSWKSKRPLPITMIGDAAHLMPPFAGQGVNSGLMDALILSDNLTNGKFNSIEEAIENYEQQMFAYGREAQAESIINETEMFSSDFSFQKLMNL
Non polymer #2 A1BDP

InChI=1S/C27H24N4O8/c1-11-12-6-4-7-15(39-26(37)25-29-8-5-9-30-25)16(12)20(32)17-13(11)10-14-19(31(2)3)21(33)18(24(28)36)23(35)27(14,38)22(17)34/h4-9,14,19,32-33,38H,10H2,1-3H3,(H2,28,36)/t14-,19-,27-/m0/s1

Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)OC(=O)c5ncccn5
Non polymer #3 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
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Reference