MolNFT v1 · #36056 · protein + DNA
Principles of protein-DNA recognition revealed in the structural analysis of NDT80-mse DNA complexes
2ETW · 5'-D(*TP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*AP*AP*C)-3': “Principles of protein-DNA recognition revealed in the structural analysis of NDT80-mse DNA complexes”. X-ray diffraction, 5 pockets (best druggability 0.67). MolNFT v1 #36056 on…
- PDB
- 2ETW
- Type
- protein + DNA
- Length
- 324 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*TP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*AP*AP*C)-3'…
- UniProt
- P38830
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 15% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*TP*GP*CP*CP*AP*CP*AP*CP*AP*AP*AP*AP*AP*C)-3' | dna | 13 | — | — |
| C | 5'-D(*AP*GP*TP*TP*TP*TP*TP*GP*TP*GP*TP*GP*GP*C)-3' | dna | 14 | — | — |
| A | NDT80 protein | protein | 297 | 15% helix, 39% strand | P38830 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 185 | 0.67 | 0.87 | 21 | empty |
| 2 | 256 | 0.50 | 0.74 | 40 | empty |
| 3 | 72 | 0.31 | 0.74 | 12 | empty |
| 4 | 64 | 0.31 | 0.76 | 12 | empty |
| 5 | 74 | 0.31 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- C–A · 801 Ų buried · 20 hydrogen bonds · protein-nucleic
- B–A · 658 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–C · 576 Ų buried · 49 hydrogen bonds · nucleic-nucleic
Compared structures
- 2ETW · Principles of protein-DNA recognition revealed in the structural analysis of Ndt80-MSE… · the same entry in another collection · chain B against B, TM-score 1.00
- P38830 · AlphaFold monomer V2.0 prediction for meiosis-specific transcription factor NDT80 (P38830) · 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 P38830
- Elsewhere: RCSB PDB 2ETW · PDBe 2ETW · UniProt P38830
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