2025-11-22_00000036|ligand|9EF7

Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20057; X-ray diffraction 1.80Å
Protein #1 431 residues (99% resolved)

GPGSKPHKFWNTQPVVQNDDSSSEYSFGPIEIEPDSFRKEIYKLPDGFSWFDCNLWDIESQDFEDTYQLLKDHYVEDDDSQFRFNYSKEFLRWALCVPGQKKNWLVGVRVNETKKMVGFISAIPIKVRIHNCIMNTSVVNFLCVHKKLRSKRLAPVLIKEITRRIRCEKIFQSIYTCGKNITKPFTIGTYWHRIINVKKLLEAGFIGIPRNMTMSSLIKYHRIPADKRIEGFRPSVDSDAEQICKLFENYFMKYKDVSNETMNNLINYDEINHSKELGKQAYMKLDKIEDLQDKITIHQCFNVEDVKHYFTNIDKVIVTYVRENKNKEITDLFSFFIIESTVINNERFPTINIAYSYFNIANTCSLKELFNEMLITAKNNNCDAFNTLDLMQNLQVIQDSKFIIGTGRLRYYVFNWKIPQISPSNVGIILF

GPGSKPHKFWNTQPVVQNDDSSSEYSFGPIEIEPDSFRKEIYKLPDGFSWFDCNLWDIESQDFEDTYQLLKDHYVEDDDSQFRFNYSKEFLRWALCVPGQKKNWLVGVRVNETKKMVGFISAIPIKVRIHNCIMNTSVVNFLCVHKKLRSKRLAPVLIKEITRRIRCEKIFQSIYTCGKNITKPFTIGTYWHRIINVKKLLEAGFIGIPRNMTMSSLIKYHRIPADKRIEGFRPSVDSDAEQICKLFENYFMKYKDVSNETMNNLINYDEINHSKELGKQAYMKLDKIEDLQDKITIHQCFNVEDVKHYFTNIDKVIVTYVRENKNKEITDLFSFFIIESTVINNERFPTINIAYSYFNIANTCSLKELFNEMLITAKNNNCDAFNTLDLMQNLQVIQDSKFIIGTGRLRYYVFNWKIPQISPSNVGIILF
Non polymer #2 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

C(COCCOCCOCCOCCO)O
Non polymer #3 A1BHQ

InChI=1S/C22H21ClN6OS/c1-13-12-25-22(31-13)28-21(30)15-3-2-4-17-19(15)27-20(26-17)16-11-14(23)5-6-18(16)29-9-7-24-8-10-29/h2-6,11-12,24H,7-10H2,1H3,(H,26,27)(H,25,28,30)

Cc1cnc(s1)NC(=O)c2cccc3c2nc([nH]3)c4cc(ccc4N5CCNCC5)Cl
Non polymer #4 CL

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

[Cl-]
Non polymer #5 MYA

InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1

CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Non polymer #6 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
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Reference