2024-10-12_00000160|hard|8YS9

Crystal structure of Phosphatidylethanolamine N-methyltransferase from R. thermophilum complexed with DMPE and SAH; X-ray diffraction 1.46Å
Protein #1 217 residues (96% resolved)

MEIEAVEASYRRWAPIYDRTFGAVTQRGRREAVARINAIPPGRDGVTRVLEIGVGTGLALPHYAPHIRVTGIDASEAMLERARAAHGRRPTVESLRIMDARSLDFADESFDVVAAMHVLSVVPEPRRVMAEIARVLRPGGQAVTVTHFAVEGRGARAALERAMAPLADRLGWHSDFSRAEVLSEPRLRPGEERRLPPLRLMTLLVLHRIGHHHHHHG

MEIEAVEASYRRWAPIYDRTFGAVTQRGRREAVARINAIPPGRDGVTRVLEIGVGTGLALPHYAPHIRVTGIDASEAMLERARAAHGRRPTVESLRIMDARSLDFADESFDVVAAMHVLSVVPEPRRVMAEIARVLRPGGQAVTVTHFAVEGRGARAALERAMAPLADRLGWHSDFSRAEVLSEPRLRPGEERRLPPLRLMTLLVLHRIGHHHHHHG
Non polymer #2 A1L1H

InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1

CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC
Non polymer #3 LMT

InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Non polymer #4 SAH

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
Non polymer #5 TLA

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

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