2026-04-11_00000016|ligand|22FE

Crystal structure of thioredoxin gluthathione reductase from Schistosoma japonicum with the U597C mutation in complex with GSH; X-ray diffraction 2.12Å
Protein #1 598 residues (99% resolved)

MPPIDGTSQWLQRTIESAAVIVFSKTTCPFCKKLKDVLAEAKIKHATIELDQLSNGSVIQKALSSFSKIETVPQMFVRGKFIGDSKAVLNYHNNNQLQAIVNENKYDYDLIIIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPMGTTWGLGGTCVNVGCIPKKLMHQAGLLSHSLEDAQHFGWSLDKSKISHDWSTMVEGVQSHIGSLNWGYKVSLRDNAVTYLNARGMLLSSHEVQITEKNKKVSTITGNKIILATGERPKYPEIPGAIEYGITSDDLFSLPYFPGKTLVVGASYVALECAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEITQLKPVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKLNCEAVGVKLDKNGRVVCSDDEQTTVSNIYAIGDINAGKPQLTPVAIHAGRYLARRLFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDNDIEVYHSHFKPLEWTVAHREDNVCYMKLVCRISDNMRVLGLHVLGPNAGEITQGYAVAIKMGATKEDFDRTIGIHPTCSETFTTLHVTKRSGGSAAVTGCCG

MPPIDGTSQWLQRTIESAAVIVFSKTTCPFCKKLKDVLAEAKIKHATIELDQLSNGSVIQKALSSFSKIETVPQMFVRGKFIGDSKAVLNYHNNNQLQAIVNENKYDYDLIIIGGGSGGLAAGKEAAKYGAKTAVLDYVEPTPMGTTWGLGGTCVNVGCIPKKLMHQAGLLSHSLEDAQHFGWSLDKSKISHDWSTMVEGVQSHIGSLNWGYKVSLRDNAVTYLNARGMLLSSHEVQITEKNKKVSTITGNKIILATGERPKYPEIPGAIEYGITSDDLFSLPYFPGKTLVVGASYVALECAGFLASLGGDVTVMVRSILLRGFDQQMAEKVGDYMENHGVKFAKLCVPDEITQLKPVDTENNKPGLLLVKGHYTDGKKFEEEFETVIFAVGREPQLSKLNCEAVGVKLDKNGRVVCSDDEQTTVSNIYAIGDINAGKPQLTPVAIHAGRYLARRLFAGATELTDYSNVATTVFTPLEYGACGLSEEDAIEKYGDNDIEVYHSHFKPLEWTVAHREDNVCYMKLVCRISDNMRVLGLHVLGPNAGEITQGYAVAIKMGATKEDFDRTIGIHPTCSETFTTLHVTKRSGGSAAVTGCCG
Non polymer #2 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
Non polymer #3 GSH

InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #5 SIN

InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

C(CC(=O)O)C(=O)O
Download coordinates
Reference