Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form I. Determined by X-ray diffraction at 1.26 Å resolution. Released 12 Jul 2023.
Explore 8I62 in 3D Show helices and sheets RCSB PDB PDBe
8I62 contains 17 α-helices and 8 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 6-9 | 4 | |
| α-helix | 12-17 | 6 | |
| α-helix | 19-21 | 3 | |
| α-helix | 22-38 | 17 | |
| β-strand | 43 | 1 | 1 |
| α-helix | 46-48 | 3 | |
| α-helix | 51-54 | 4 | |
| α-helix | 57-59 | 3 | |
| β-strand | 62-66 | 5 | 2 |
| α-helix | 90-91 | 2 | |
| α-helix | 92-105 | 14 | |
| α-helix | 107-110 | 4 | |
| α-helix | 116-119 | 4 | |
| β-strand | 123-127 | 5 | 2 |
| β-strand | 132 | 1 | 1 |
| β-strand | 133 | 1 | 3 |
| β-strand | 136 | 1 | 3 |
| α-helix | 145-158 | 14 | |
| β-strand | 163-168 | 6 | 2 |
| α-helix | 170-173 | 4 | |
| α-helix | 176-179 | 4 | |
| β-strand | 184-189 | 6 | 2 |
| α-helix | 197-199 | 3 | |
| α-helix | 206-216 | 11 | |
| α-helix | 219-222 | 4 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Uracil-DNA glycosylase | A | protein | 238 | Mycobacterium tuberculosis H37Rv | P9WFQ9 (AlphaFold model) |
>8I62_1 Uracil-DNA glycosylase (chains A) MHHHHHHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNV LRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPL PSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWG RDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
| ID | Name | Formula | Copies |
|---|---|---|---|
| BR8 | Barbituric acid | C4 H4 N2 O3 | 1 |
Water and common crystallization additives (EDO, CL) are not listed.
Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment. Kesharwani, S., Raj, P., Paul, A. et al. Eur J Med Chem (2023) 258:115604-115604. DOI 10.1016/j.ejmech.2023.115604 · PubMed
Other PDB entries of the same protein (UniProt P9WFQ9 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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