2024-12-14_00000491|ligand|9MDT

Crystal Structure Pyrophosphate-fructose 6-phosphate 1-phosphotransferase 1 (Pfk1) from Trichomonas vaginalis (ATP/Pyrophosphate complex); X-ray diffraction 2.16Å
Protein #1 434 residues (97% resolved)

MAHHHHHHMSTEAPVLGILCGGGPAPGLNGVIAGATLYALRLGWKVIGFMEGFKYLCTGDVDVVKAHTIDLTYDIVSRIHFQGGTIIQTSRANPRKSPELQENVRKCLRALKVRYFLTIGGDDTASSAVSVASGMNGNEISVISCPKTIDNDLPLPADQSTFGFHTARSLGMEIIRNLMVDSKSAPRWFLVEAMGRSAGHLALGMAEASGAHLCLIPEEFKQDEIEFEDVVELVEATILKRLAYGKNYGVCVLAEGLVSKMSKKALYKLFGNREPPTDPHGHILLDDAELARSLSEELLKRLGNLGIRITPKKIGYELRCADPVAFDAVYTRELGYGAIDAFLNGHSAALIVRENGQVKPVQFKDLLDPATGRVRTRLVDVTSQSFKVARVYMWRMSKKDYENKDLVARVAAAGKMTPEAFTEKFAHLTDVVVE

MAHHHHHHMSTEAPVLGILCGGGPAPGLNGVIAGATLYALRLGWKVIGFMEGFKYLCTGDVDVVKAHTIDLTYDIVSRIHFQGGTIIQTSRANPRKSPELQENVRKCLRALKVRYFLTIGGDDTASSAVSVASGMNGNEISVISCPKTIDNDLPLPADQSTFGFHTARSLGMEIIRNLMVDSKSAPRWFLVEAMGRSAGHLALGMAEASGAHLCLIPEEFKQDEIEFEDVVELVEATILKRLAYGKNYGVCVLAEGLVSKMSKKALYKLFGNREPPTDPHGHILLDDAELARSLSEELLKRLGNLGIRITPKKIGYELRCADPVAFDAVYTRELGYGAIDAFLNGHSAALIVRENGQVKPVQFKDLLDPATGRVRTRLVDVTSQSFKVARVYMWRMSKKDYENKDLVARVAAAGKMTPEAFTEKFAHLTDVVVE
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

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 ATP

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #4 CL

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

[Cl-]
Non polymer #5 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
Non polymer #6 PPV

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

OP(=O)(O)OP(=O)(O)O
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Reference