MolNFT v1 · #165830 · protein + DNA
Muty adenine glycosylase bound to DNA containing a transition state analog (1N) paired with D(8-oxo-G)
6U7T · Adenine DNA glycosylase: “Muty adenine glycosylase bound to DNA containing a transition state analog (1N) paired with D(8-oxo-G)”. X-ray diffraction, 2 ligands (SF4, CA), 4 pockets (best druggability 0.78). MolNFT v1 #165830 on…
- PDB
- 6U7T
- Type
- protein + DNA
- Length
- 370 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenine DNA glycosylase; DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'); DNA…
- EC
- 3.2.2.31
- UniProt
- P83847
- Ligands
- SF4, CA
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenine DNA glycosylase (EC 3.2.2.31) | protein | 349 | 48% helix, 12% strand | P83847 |
| B | DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3') | dna | 11 | — | — |
| C | DNA (5'-D(P*GP*TP*CP*CP*AP*(NR1)P*GP*TP*CP*T)-3') | dna | 10 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 910 | 0.78 | 0.81 | 52 | empty |
| 2 | 171 | 0.56 | 0.81 | 20 | empty |
| 3 | 120 | 0.49 | 0.80 | 23 | empty |
| 4 | 139 | 0.44 | 0.75 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–C · 840 Ų buried · 19 hydrogen bonds · protein-nucleic
- A–B · 816 Ų buried · 18 hydrogen bonds · protein-nucleic
- B–C · 425 Ų buried · 38 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 6U7T · MutY adenine glycosylase bound to DNA containing a transition state analog (1N) paired… · the same entry in another collection · chain A against A, TM-score 1.00
- P83847 · AlphaFold monomer V2.0 prediction for adenine DNA glycosylase (P83847) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P83847
- Elsewhere: RCSB PDB 6U7T · PDBe 6U7T · UniProt P83847
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