2024-02-24_00000112|hard|8JBI

SteC 202-375 mutant- C276S; X-ray diffraction 2.36Å

Protein #1 174 residues (90% resolved)

Raw Sequence ...

GAIDQTDASQPAAIEAFINSPEFQKNIRMRDIEKNKIGSGSYGTVYRLHDDFVVKIPVNERGIKVDVNSPEHRNSHPDRVSKYLNMANDDKNFSRSAIMNINGKDVTVLVSKYIQGQEFDVEDEDNYRMAEALLKSRGVYMHDINILGNILVKEGVLFFVDGDQIVLSQESRQQ

Canonical Sequence ...

GAIDQTDASQPAAIEAFINSPEFQKNIRMRDIEKNKIGSGSYGTVYRLHDDFVVKIPVNERGIKVDVNSPEHRNSHPDRVSKYLNMANDDKNFSRSAIMNINGKDVTVLVSKYIQGQEFDVEDEDNYRMAEALLKSRGVYMHDINILGNILVKEGVLFFVDGDQIVLSQESRQQ

Non polymer #2 AMP

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Biounit #1 homo-tetramer

Reference