2025-08-23_00000284|medium|9S3A

TaGST-10 in complex with deoxynivalenol-13-glutathione; X-ray diffraction 2.30Å

Protein #1 236 residues (90% resolved)

Raw Sequence ...

GHMAGGGSDEVKLLGMWASPFVLRVQLALSLKGVGYEYVEEDLKSKSELLLKSNPVLQKVPVLIHDGKPVCESSVILQYIDEAFAGVGPSLLPEEPHGRAVARFWAAYIDGTLVKASSQASMAKTEEEKAEGKKQVTAAVETLEGALRDCSNGKPFFGGDTAGYVDVMLGGLLAWVHAGDKMKGVKTFDPATTPLLAAWADNFGSLDAVEAVMPDVGKLVEFAMAMHARAAAAATN

Canonical Sequence ...

Non polymer #2 A1I4T

InChI=1S/C18H27NO8S/c1-8-3-11-16(6-26-18(8,25)14(16)23)15(2)4-10(20)12(27-11)17(15,24)7-28-5-9(19)13(21)22/h3,9-12,14,20,23-25H,4-7,19H2,1-2H3,(H,21,22)/t9-,10+,11+,12+,14-,15+,16+,17-,18+/m0/s1

SMILES: CC1=C[C@@H]2[C@@]3(CO[C@]1([C@H]3O)O)[C@]4(C[C@H]([C@H]([C@]4(CSC[C@@H](C(=O)O)N)O)O2)O)C

CC1=C[C@@H]2[C@@]3(CO[C@]1([C@H]3O)O)[C@]4(C[C@H]([C@H]([C@]4(CSC[C@@H](C(=O)O)N)O)O2)O)C

Non polymer #3 A1I4U

InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1

InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1

SMILES: CC1=C[C@@H]2[C@@]3(CO[C@]1([C@H]3O)O)[C@]4(C[C@H]([C@H]([C@]4(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O2)O)C

CC1=C[C@@H]2[C@@]3(CO[C@]1([C@H]3O)O)[C@]4(C[C@H]([C@H]([C@]4(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O2)O)C

Non polymer #4 ACT

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

SMILES: CC(=O)[O-]

CC(=O)[O-]

Non polymer #5 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #6 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

SMILES: C(C(CO)(CO)[NH3+])O

C(C(CO)(CO)[NH3+])O

Biounit #1 homo-dimer

Reference