2024-08-17_00000199|ligand|9FD3

CysG(N-16)-D190N mutant in complex with SAH from Kitasatospora cystarginea; X-ray diffraction 1.40Å

Protein #1 215 residues (99% resolved)

Raw Sequence ...

GSTYDALRRQLIPSFDLLYGSAVSVVAMSVPATARILDLGAGTGLLGAALRERLPDAELLLQDRSQAMLEQARQRFADDDQVAIRVADHLDELPAGPFDAVVSALSIHHLEHQDKQDLFTRIRKILRPGGIFVNVEQVLAPTSELEKMYDRQHEAHVLASDTPAEEWAAGRERMKHNIPIDVETQIQWLRDAGFTTADCLAKDWRFATYAGWNGS

Canonical Sequence ...

Non polymer #2 CA

InChI=1S/Ca/q+2

SMILES: [Ca+2]

[Ca+2]

Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)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

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

Biounit #1 monomer

Reference