2024-07-20_00000151|ligand|8RXG

Crystal structure of alpha-keto C-methyl transferase SgvM bound to SAM; X-ray diffraction 1.81Å

Protein #1 339 residues (99% resolved)

Raw Sequence ...

MATHDIAAQHLADGIAASGPAPDLAAAAAFLEMGDRLGVVAHLDPDRTLETAEVAAALDLPEPALVRYLDAVESAGLVIREGEGRYRACPDFDTIRHQAGYISWTMNANRPFIENARDFFTDWDKAARTHVRDYREVAVSSQWMGSHAFYPTALATIIDAAPRKVVDLGAGTCRLLIEVLGAVPGSTGVGLDFAADACRAAEQAVAQAGMTDRLTVVERTIQSVATDPGVLEGADVIHAGFVFHDMLPEEEDVCDQVLANCRESLAPGGFLAITDAVPYLRNDRERRFSAAVSYYHGEFMRRRLQSEEEWVERLRGAGFSDVRALTLAFPTGRLFLAHR

Canonical Sequence ...

Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #3 COI

InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)

SMILES: CC(C)CC(=O)C(=O)O

CC(C)CC(=O)C(=O)O

Non polymer #4 SAM

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1

SMILES: C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Non polymer #5 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 homo-dimer

Reference