2024-05-11_00000224|ligand|8SRF

Cryo-EM structure of TRPM2 chanzyme in the presence of Magnesium, ADP-ribose, Adenosine monophosphate, and Ribose-5-phosphate, closed state; Electron microscopy 2.52Å
Protein #1 1494 residues (92% resolved)

MQRARPGELVEVIMFRPTGKARVSNLDESMAMEFTDLRTRAMSSAAMIRQSVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLRFPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGGARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALSKTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPLDDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPGTLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDLRQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCILKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDNLMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAIEELYKREAKKPHSHVQRLVSLSNTDVLGRHYRVSTQRGDGTTRRIGRDLANTRAYNVLRMDQIFARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFRMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKKFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLSHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSEDHAEQQVEAPRDFFTDAPRSSHSANSTTSGAHRLRRKFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFVALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQDSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFLLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSEANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKVQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHTQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNVVQAMGMMDQLLEHMISFRFSLDQQATKIKQEIRDDGLPSTEPTGLVSRTPSQPINRLNSAVAVHGHTAEAAEWYVPPEEYPKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKIKFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKWGVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFVDNGEDVALTSGREFMEEALGMGTSADLMSAESKDSLAALFSSGTIVARIYCEDPRNTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFASHRTLLQHVTSALNAYF

MQRARPGELVEVIMFRPTGKARVSNLDESMAMEFTDLRTRAMSSAAMIRQSVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLRFPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGGARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALSKTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPLDDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPGTLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDLRQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCILKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDNLMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAIEELYKREAKKPHSHVQRLVSLSNTDVLGRHYRVSTQRGDGTTRRIGRDLANTRAYNVLRMDQIFARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFRMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKKFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLSHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSEDHAEQQVEAPRDFFTDAPRSSHSANSTTSGAHRLRRKFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFVALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQDSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFLLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSEANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKVQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHTQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNVVQAMGMMDQLLEHMISFRFSLDQQATKIKQEIRDDGLPSTEPTGLVSRTPSQPINRLNSAVAVHGHTAEAAEWYVPPEEYPKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKIKFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKWGVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFVDNGEDVALTSGREFMEEALGMGTSADLMSAESKDSLAALFSSGTIVARIYCEDPRNTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFASHRTLLQHVTSALNAYF
Non polymer #2 AMP

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
Non polymer #3 APR

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N
Non polymer #4 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

CC(C)CCC[C@@H](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 #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 RP5

InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1

C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O
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Reference