2025-01-18_00000201|medium|9DTK

Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Brucella ovis; X-ray diffraction 2.27Å
Protein #1 322 residues (100% resolved)

MMESGEALLKKLDGRLSGLRGRLTPDTGMDKITWFRAGGPAQVLFQPSDEEDLSAFLKAVPEEIPLLVVGIGSNLLVRDGGVPGFVVRLSAKGFGEVEQVCDTQLRAGAAAPDKRVAAAALEAGLAGFHFYHGIPGGIGGALRMNAGANGVETRERVVEVRALDRKGEVHVLSNADMGYAYRHSSASPDLIFTSVLFEGVPGERDDIRRAMDEVQHHRETVQPVREKTGGSTFKNPEGTSAWKEIDKAGCRGLRVGGAQMSEMHCNFMINTGNATGHDLETLGETVRARVFENSGIRLHWEIKRLGLFREGEQIEEFLGKIV

MMESGEALLKKLDGRLSGLRGRLTPDTGMDKITWFRAGGPAQVLFQPSDEEDLSAFLKAVPEEIPLLVVGIGSNLLVRDGGVPGFVVRLSAKGFGEVEQVCDTQLRAGAAAPDKRVAAAALEAGLAGFHFYHGIPGGIGGALRMNAGANGVETRERVVEVRALDRKGEVHVLSNADMGYAYRHSSASPDLIFTSVLFEGVPGERDDIRRAMDEVQHHRETVQPVREKTGGSTFKNPEGTSAWKEIDKAGCRGLRVGGAQMSEMHCNFMINTGNATGHDLETLGETVRARVFENSGIRLHWEIKRLGLFREGEQIEEFLGKIV
Non polymer #2 EPU

InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O
Non polymer #3 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
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Reference