MolNFT v1 · #56524 · protein
Crystal structure of uracil-DNA glycosylase from mycobacterium tuberculosis in complex with a proteinaceous inhibitor
2ZHX: “Crystal structure of uracil-DNA glycosylase from mycobacterium tuberculosis in complex with a proteinaceous…”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #56524 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2ZHX
- Type
- protein
- Length
- 2,148 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-DNA glycosylase; Uracil-DNA glycosylase inhibitor
- EC
- 3.2.2.3
- UniProt
- P67071, P14739
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, G, I, K, M | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 225 | 37% helix, 8% strand | P67071 |
| B, D, F, H, J, L, N | Uracil-DNA glycosylase inhibitor | protein | 82 | 20% helix, 43% strand | P14739 |
| E | Uracil-DNA glycosylase (EC 3.2.2.3) | protein | 224 | 40% helix, 9% strand | P67071 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 759 | 0.79 | 0.83 | 90 | empty |
| 2 | 60 | 0.74 | 0.99 | 28 | empty |
| 3 | 61 | 0.72 | 0.98 | 30 | empty |
| 4 | 61 | 0.72 | 0.98 | 25 | empty |
| 5 | 55 | 0.72 | 0.99 | 24 | empty |
Interfaces
21 interfaces between chains.
- G–H · 1201 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1165 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1153 Ų buried · 13 hydrogen bonds · protein-protein
- K–L · 1144 Ų buried · 12 hydrogen bonds · protein-protein
- I–J · 1131 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2ZHX · Crystal structure of Uracil-DNA Glycosylase from Mycobacterium tuberculosis in complex… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P67071
- Every structure of UniProt P14739
- Elsewhere: RCSB PDB 2ZHX · PDBe 2ZHX · UniProt P67071 · UniProt P14739
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