2024-08-31_00000346|medium|9FCF

Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with ProFAR; X-ray diffraction 2.36Å

Protein #1 274 residues (97% resolved)

Raw Sequence ...

SNASPPSIQCSVQFRPCINIHKGKVKQIVGSTLKDLKDDDGSDPITNFESDKSAAEYATLYKQDGLKGGHVIMLGADPFSKAASLEALHAYPGGLQVGGGINSDNCLSYIEEGASHVIVTSYVFNNGQMDLERLKDLVRIVGKERLVLDLSCRKKEGKYAIVTDRWQKFSDVSLDAKVMEFLANFADEFLVHGVDVEGKKLGIDEELVALLGKHSPIPVTYAGGVTVMDDLERIRTAGMDNVDVTVGSALDIFGGNLAYKDVVAWHNQQKVSVA

Canonical Sequence ...

Non polymer #2 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #3 GUO

InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

InChI=1S/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,27,28)(H2,29,30,31)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

SMILES: c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N

c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N

Non polymer #4 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 monomer

Reference