2025-03-08_00000035
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ligand
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8VOU
Human glutathione transferase M1-1 in complex with the adduct between glutathione and nitrooleic acid;
X-ray diffraction 2.55Å
Protein #1
218 residues (100% resolved)
Raw Sequence ...
MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNLPYLIDGAHKITQSNAILCYIARKHNLCGETEEEKIRVDILENQTMDNHMQLGMICYNPEFEKLKPKYLEELPEKLKLYSEFLGKRPWFAGNKITFVDFLVYDVLDLHRIFEPKCLDAFPNLKDFISRFEGLEKISAYMKSSRFLPRPVFSKMAVWGNK
Canonical Sequence ...
MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEKFKLGLDFPNLPYLIDGAHKITQSNAILCYIARKHNLCGETEEEKIRVDILENQTMDNHMQLGMICYNPEFEKLKPKYLEELPEKLKLYSEFLGKRPWFAGNKITFVDFLVYDVLDLHRIFEPKCLDAFPNLKDFISRFEGLEKISAYMKSSRFLPRPVFSKMAVWGNK
Non polymer #2
A1AWW
InChI=1S/C28H50N4O10S/c1-2-3-4-5-7-10-13-22(32(41)42)23(14-11-8-6-9-12-15-25(34)35)43-19-21(27(38)30-18-26(36)37)31-24(33)17-16-20(29)28(39)40/h20-23H,2-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/t20-,21-,22-,23+/m0/s1
InChI=1S/C28H50N4O10S/c1-2-3-4-5-7-10-13-22(32(41)42)23(14-11-8-6-9-12-15-25(34)35)43-19-21(27(38)30-18-26(36)37)31-24(33)17-16-20(29)28(39)40/h20-23H,2-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/t20-,21-,22-,23+/m0/s1
SMILES: CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]
CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=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
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
SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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