2026-10-24_00000002|ligand|10BY

Structure of PTDSS2 in complex with calcium and serine; Electron microscopy 2.90Å
Protein #1 498 residues (70% resolved)

MRRGDRRGPGGLRPGSPLPAGKASLEEPPDGVPSGPAPGPGRRSTESEVYDDGTNTFFWRAHTLTVLCILTCVLGYVTLLEETPRDTAYNTKRGIVASILVFLCFGVTQAKDGPFSRPHPAYWRFWLCVSVVYELFLIFILFQTVQDGRQFLKYVDPRLGVPLPERDYGGNCLIYDADNESDPFHNVWDKLDGFVPAHFLGWYLKTLMIRDWWMCMIVSVMFEFLEYSLEHQLPNFSECWWDHWIMDVLVCNGLGIYCGMKTLEWLSLKTYKWQGLWNIPTYKGKMKRIVFQFTPYSWVRFEWKPASSLRRWLAVCGIILVFLLAELNTFYLKFVLWLPPEHYLVLLRLVFFVNVGGVAMREIYDFMDDPKLHKKLGQQAWLVAAITATELLIVVKYDPHTLTLSLPFYIAQCWVLGSVLLLTWTAWRFFLRDITLRYKETRRQKQQSRGDQGRAVGSMDGHPLGPDDPLPRPDDPLPGPDNPQGPGEAEMEGVPALN

MRRGDRRGPGGLRPGSPLPAGKASLEEPPDGVPSGPAPGPGRRSTESEVYDDGTNTFFWRAHTLTVLCILTCVLGYVTLLEETPRDTAYNTKRGIVASILVFLCFGVTQAKDGPFSRPHPAYWRFWLCVSVVYELFLIFILFQTVQDGRQFLKYVDPRLGVPLPERDYGGNCLIYDADNESDPFHNVWDKLDGFVPAHFLGWYLKTLMIRDWWMCMIVSVMFEFLEYSLEHQLPNFSECWWDHWIMDVLVCNGLGIYCGMKTLEWLSLKTYKWQGLWNIPTYKGKMKRIVFQFTPYSWVRFEWKPASSLRRWLAVCGIILVFLLAELNTFYLKFVLWLPPEHYLVLLRLVFFVNVGGVAMREIYDFMDDPKLHKKLGQQAWLVAAITATELLIVVKYDPHTLTLSLPFYIAQCWVLGSVLLLTWTAWRFFLRDITLRYKETRRQKQQSRGDQGRAVGSMDGHPLGPDDPLPRPDDPLPGPDNPQGPGEAEMEGVPALN
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 CLR

InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Non polymer #4 POV

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1

CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
Non polymer #5 SER

InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

C([C@@H](C(=O)O)N)O
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Reference