2025-05-17_00000196|ligand|9H5E

NNMT-SAH IN COMPLEX WITH 1p; X-ray diffraction 1.90Å

Protein #1 280 residues (92% resolved)

Raw Sequence ...

HNHNHNHNHNHNAAAENLYFQSGFTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKAAPAAFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFSSLPLGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVARKLS

Canonical Sequence ...

Non polymer #2 A1ISJ

InChI=1S/C8H10N2O2/c1-10-5-6(8(9)11)3-4-7(10)12-2/h3-5H,1-2H3,(H-,9,11)/p+1

SMILES: C[n+]1cc(ccc1OC)C(=O)N

C[n+]1cc(ccc1OC)C(=O)N

Non polymer #3 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

SMILES: 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

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

Reference