2026-07-04_00000187
|
ligand
|
9VQ5
Crystal structure of Peroxiredoxin I in complex with SAC;
X-ray diffraction 1.50Å
Protein #1
175 residues (95% resolved)
Raw Sequence ...
MSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVSPTEIIAFSDRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVCPA
Canonical Sequence ...
MSSGNAKIGHPAPNFKATAVMPDGQFKDISLSDYKGKYVVFFFYPLDFTFVSPTEIIAFSDRAEEFKKLNCQVIGASVDSHFSHLAWVNTPKKQGGLGPMNIPLVSDPKRTIAQDYGVLKADEGISFRGLFIIDDKGILRQITVNDLPVGRSVDETLRLVQAFQFTDKHGEVCPA
Non polymer #2
A1ES6
InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
InChI=1S/C26H20O10/c27-17-5-1-13(9-20(17)30)10-23(26(33)34)35-24(32)8-4-14-2-7-19(29)25-16(14)12-22(36-25)15-3-6-18(28)21(31)11-15/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
SMILES: c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2cc(o3)c4ccc(c(c4)O)O)O)O)O
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c3c2cc(o3)c4ccc(c(c4)O)O)O)O)O
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%