Research workbench
Crystal structure analysis of the catalytic domain and interdomain connector of human muty homologue
Analyse Crystal structure analysis of the catalytic domain and interdomain connector of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3N5N
- Type
- protein
- Length
- 543 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A/G-specific adenine DNA glycosylase
- EC
- 3.2.2.-
- UniProt
- Q9UIF7
- Ligands
- SF4
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | A/G-specific adenine DNA glycosylase (EC 3.2.2.-) | protein | 271 | 59% helix, 0% strand | Q9UIF7 |
| Y | A/G-specific adenine DNA glycosylase (EC 3.2.2.-) | protein | 272 | 60% helix, 0% strand | Q9UIF7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 449 | 0.76 | 0.85 | 51 | empty |
| 2 | 158 | 0.61 | 0.84 | 25 | empty |
| 3 | 58 | 0.53 | 0.87 | 16 | SF4 |
| 4 | 129 | 0.52 | 0.81 | 19 | empty |
| 5 | 56 | 0.49 | 0.86 | 16 | SF4 |
Interfaces
1 interface between chains.
- X–Y · 458 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3N5N · Crystal structure analysis of the catalytic domain and interdomain connector of human… · the same entry in another collection · chain X against X, TM-score 1.00
- Q9UIF7 · AlphaFold monomer V2.0 prediction for adenine DNA glycosylase (Q9UIF7) · a predicted model of the same protein · chain X against A, TM-score 0.88
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 Q9UIF7
- Elsewhere: RCSB PDB 3N5N · PDBe 3N5N · UniProt Q9UIF7
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