2025-08-23_00000066|medium|9C5K

Trypanosoma cruzi R19T/K20S/C64Y mutant beta-3-HBDH structure in complex with NADPH and malonate; X-ray diffraction 1.79Å
Protein #1 270 residues (97% resolved)

GPHMMSGEKRVLSGRVAVVTGSTSGIGLGIAMRLAMAGADVVLNGRRQSPEDSAIVEKVAAYGTRVRYFAANMKDRAQVEALIKFTEKELGAVEILVNNAGIQHVSPVETFPSDKWDEIIALNLTSAFHATQLCLPSMRQRGWGRIINIASVQGLVGSMNKSAYCAAKHGLIGFTKVVALETATTGITCNAICPGYVYTPLVEEQIKAVAEAKYGGDMEAATQAFLCEKQPAKAFVTVEQVGDAAVFLASPGADMIRGTTITVDGGWVAQ

GPHMMSGEKRVLSGRVAVVTGSTSGIGLGIAMRLAMAGADVVLNGRRQSPEDSAIVEKVAAYGTRVRYFAANMKDRAQVEALIKFTEKELGAVEILVNNAGIQHVSPVETFPSDKWDEIIALNLTSAFHATQLCLPSMRQRGWGRIINIASVQGLVGSMNKSAYCAAKHGLIGFTKVVALETATTGITCNAICPGYVYTPLVEEQIKAVAEAKYGGDMEAATQAFLCEKQPAKAFVTVEQVGDAAVFLASPGADMIRGTTITVDGGWVAQ
Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 MLI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

C(C(=O)[O-])C(=O)[O-]
Non polymer #5 NDP

InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/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)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
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