2024-01-06_00000003|hard|8AI1

Crystal structure of radical SAM epimerase EpeE from Bacillus subtilis with [4Fe-4S] clusters and S-adenosyl-L-homocysteine bound.; X-ray diffraction 2.40Å
Protein #1 344 residues (93% resolved)

MASWSHPQFEKSGGGGGENLYFQGHMYNKTVSINLDSRCNASCDHCCFSSSPTSTTRMEKEYIRELVTEFAKNKTIQVISFTGGEVFLDYKFLKELMEIIKPYEKQITLISNGFWGLSKKKVQEYFHDMNSLNVIALTISYDEYHAPFVKSSSIKNILEHSRKYPDIDISLNMAVTKDKMSNHILEELGDSILGVKITKFPMISVGAAKTRIKQENIHKFYSLEDEDSLHCPGYDIVYHHDGEIYPCCSPAIFETKITLREEYNQSFERTVEKLNSNLLLFILRKEGFKWFLNILKENNKIEEFDIPYEFSSICGVCGSLFNSAEKINYFYPYMEKYYNENFKV

MASWSHPQFEKSGGGGGENLYFQGHMYNKTVSINLDSRCNASCDHCCFSSSPTSTTRMEKEYIRELVTEFAKNKTIQVISFTGGEVFLDYKFLKELMEIIKPYEKQITLISNGFWGLSKKKVQEYFHDMNSLNVIALTISYDEYHAPFVKSSSIKNILEHSRKYPDIDISLNMAVTKDKMSNHILEELGDSILGVKITKFPMISVGAAKTRIKQENIHKFYSLEDEDSLHCPGYDIVYHHDGEIYPCCSPAIFETKITLREEYNQSFERTVEKLNSNLLLFILRKEGFKWFLNILKENNKIEEFDIPYEFSSICGVCGSLFNSAEKINYFYPYMEKYYNENFKV
Non polymer #2 EDO

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

C(CO)O
Non polymer #3 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)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

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
Non polymer #5 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
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Reference