MolNFT v1 · #93815 · protein + DNA
Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine
4HDU · Alkyltransferase-like protein 1: “Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine”. X-ray diffraction, 4 pockets (best druggability 0.49). MolNFT v1 #93815 on GenesisL1: 3D structure, binding…
- PDB
- 4HDU
- Type
- protein + DNA
- Length
- 134 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkyltransferase-like protein 1; 5'-D(*GP*CP*CP*AP*TP*GP*(2PR)P*CP*TP*AP*GP*TP*A)-3'…
- UniProt
- Q9UTN9
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 47% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkyltransferase-like protein 1 | protein | 108 | 47% helix, 10% strand | Q9UTN9 |
| B | 5'-D(*GP*CP*CP*AP*TP*GP*(2PR)P*CP*TP*AP*GP*TP*A)-3' | dna | 13 | — | — |
| C | 5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3' | dna | 13 | — | — |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.49 | 0.75 | 24 | empty |
| 2 | 100 | 0.44 | 0.79 | 15 | empty |
| 3 | 86 | 0.43 | 0.80 | 14 | empty |
| 4 | 61 | 0.32 | 0.77 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 691 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–C · 535 Ų buried · 46 hydrogen bonds · nucleic-nucleic
- A–C · 408 Ų buried · 7 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4HDU · Crystal structure of S. pombe ATL1 in complex with damaged DNA containing 2-aminopurine · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UTN9 · AlphaFold monomer V2.0 prediction for alkyltransferase-like protein 1 (Q9UTN9) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9UTN9
- Elsewhere: RCSB PDB 4HDU · PDBe 4HDU · UniProt Q9UTN9
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