2025-12-20_00000369|ligand|9YZZ

Crystal structure of Trastuzumab Fab conjugated to Linker-Payload; X-ray diffraction 2.42Å
Protein #1 233 residues (91% resolved)

MGWSCIILFLVATATGVHSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

MGWSCIILFLVATATGVHSDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Protein #2 244 residues (86% resolved)

MGWSCIILFLVATATGVHSEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPCVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

MGWSCIILFLVATATGVHSEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPCVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK
Non polymer #3 A1CZS

InChI=1S/C60H91N9O14/c1-15-36(6)52(45(81-13)32-49(73)68-30-19-22-44(68)54(82-14)37(7)55(75)62-38(8)53(74)42-20-17-16-18-21-42)66(11)59(79)50(34(2)3)65-58(78)51(35(4)5)67(12)60(80)83-33-41-23-25-43(26-24-41)64-57(77)40(10)63-56(76)39(9)61-46(70)29-31-69-47(71)27-28-48(69)72/h16-18,20-21,23-26,34-40,44-45,50-54,74H,15,19,22,27-33H2,1-14H3,(H,61,70)(H,62,75)(H,63,76)(H,64,77)(H,65,78)/t36-,37+,38+,39-,40-,44-,45+,50-,51-,52-,53+,54+/m0/s1

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCc3ccc(cc3)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN4C(=O)CCC4=O
Non polymer #4 CO

InChI=1S/Co/q+2

[Co+2]
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Reference