2024-12-14_00000399|ligand|9DEU

Crystal structure of epoxyqueuosine reductase QueH in complex with queuosine; X-ray diffraction 1.70Å

Protein #1 192 residues (83% resolved)

Raw Sequence ...

MGTVLIHVCCAPDLLTTIFHVRDAEFFFYNPNIQPLSEYEKRREAVDKVANHFSLNVRYGEYSTEEIRKWYTAVKDYKDLGEGSKRCERCISFLLERTAQEARKRGHESFSTTLLASPRKNLPMIENIGKTIEEKYGVKFFFKNFRKGGAYQEGVRLSKELGIYRQNYCGCVFSLLERREKHAEISRKRGHM

Canonical Sequence ...

MGTVLIHVCCAPDLLTTIFHVRDAEFFFYNPNIQPLSEYEKRREAVDKVANHFSLNVRYGEYSTEEIRKWYTAVKDYKDLGEGSKRCERCISFLLERTAQEARKRGHESFSTTLLASPRKNLPMIENIGKTIEEKYGVKFFFKNFRKGGAYQEGVRLSKELGIYRQNYCGCVFSLLERREKHAEISRKRGHM

Non polymer #2 56B

InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1

InChI=1S/C17H24N5O10P/c18-17-20-14-10(15(27)21-17)6(3-19-7-1-2-8(23)11(7)24)4-22(14)16-13(26)12(25)9(32-16)5-31-33(28,29)30/h1-2,4,7-9,11-13,16,19,23-26H,3,5H2,(H2,28,29,30)(H3,18,20,21,27)/t7-,8-,9+,11+,12+,13+,16+/m0/s1

SMILES: c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O

c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 SF4

InChI=1S/4Fe.4S

SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45

Non polymer #5 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Reference