2025-06-14_00000033|ligand|8ZXU

Crystal structure of N terminal deletion mutant of Staphylococcal atypical two-cysteine thiol peroxidase complexed with substrate analog; X-ray diffraction 1.55Å

Protein #1 149 residues (100% resolved)

Raw Sequence ...

QQINEGDFAPDFTVLDNDLNQVTLADYAGKKKLISVVPSIDTGVCDQQTRKFNSDASKEEGIVLTISADLPFAQKRWCASAGLDNVITLSDHRDLSFGENYGVVMEELRLLARAVFVLDADNKVVYKEIVSEGTDFPDFDAALAAYKNI

Canonical Sequence ...

QQINEGDFAPDFTVLDNDLNQVTLADYAGKKKLISVVPSIDTGVCDQQTRKFNSDASKEEGIVLTISADLPFAQKRWCASAGLDNVITLSDHRDLSFGENYGVVMEELRLLARAVFVLDADNKVVYKEIVSEGTDFPDFDAALAAYKNI

Non polymer #2 A1L2G

InChI=1S/C4H11NO/c1-4(2,3)6-5/h5H2,1-3H3

SMILES: CC(C)(C)ON

CC(C)(C)ON

Non polymer #3 DTO

InChI=1S/C4H10O3S2/c5-3(1-8)4(6)2-9-7/h3-8H,1-2H2/t3-,4-/m1/s1

SMILES: C([C@H]([C@@H](CSO)O)O)S

C([C@H]([C@@H](CSO)O)O)S

Non polymer #4 DTU

InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+

SMILES: C([C@H]([C@H](CS)O)O)S

C([C@H]([C@H](CS)O)O)S

Non polymer #5 IMD

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1

SMILES: c1c[nH+]c[nH]1

c1c[nH+]c[nH]1

Non polymer #6 PEO

InChI=1S/H2O2/c1-2/h1-2H

SMILES: OO

Non polymer #7 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

SMILES: C(COCCOCCOCCO)O

C(COCCOCCOCCO)O

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference