2025-12-27_00000124|hard|9SM1

FPP-Methyltransferase from Pseudomonas chlororaphis in complex with SAH and FPP; X-ray diffraction 2.20Å

Protein #1 298 residues (100% resolved)

Raw Sequence ...

SYHVIRGAEVSGYEGKVVYTYQDDPEDWRKAIGDRLMFQFGVYDDPRSRPPISPDESGLRYFDRQMELAGYGRGDFGPVKRILDVGCGWGFGLKYLADRFPACPRLDGINISARQLEYCAKYHAEHRLSERINLYLCNAQDVDLLPHADEPYDLVTVRGVISHFPNDLYERSMAKLASRLRPGATVIISDNLYNLPLEQYRSDTADDVDRLACKHRKTPGYFRQVLEQCGLNVEDMRVLPENIDVARWFMDVKKNIETHFTPDTIPPPLEELRVMAVNVSVALIKDQFSTYSVIARHP

Canonical Sequence ...

Non polymer #2 FPP

InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

SMILES: CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C

CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #4 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

SMILES: [O-]P(=O)([O-])[O-]

[O-]P(=O)([O-])[O-]

Non polymer #5 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