MolNFT v1 · #46769 · protein + DNA
Determination of the three-dimensional structure of the MRF2-DNA complex using paramagnetic spin labeling
2OEH · 5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3': “Determination of the three-dimensional structure of the MRF2-DNA complex using paramagnetic spin labeling”. Solution nmr, 2 pockets (best druggability 0.49). MolNFT v1 #46769…
- PDB
- 2OEH
- Type
- protein + DNA
- Length
- 136 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3'…
- UniProt
- Q14865
- Pockets
- 2 · best druggability 0.49
Structure
solution nmr · 3 distinct chains · 55% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3' | dna | 15 | — | — |
| C | 5'-D(P*CP*GP*AP*CP*GP*TP*TP*AP*TP*AP*TP*TP*GP*T)-3' | dna | 14 | — | — |
| A | At-rich interactive domain-containing protein 5B | protein | 107 | 55% helix, 0% strand | Q14865 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.49 | 0.77 | 20 | empty |
| 2 | 155 | 0.42 | 0.75 | 25 | empty |
Interfaces
3 interfaces between chains.
- B–C · 634 Ų buried · 43 hydrogen bonds · nucleic-nucleic
- B–A · 563 Ų buried · 15 hydrogen bonds · protein-nucleic
- C–A · 313 Ų buried · 6 hydrogen bonds · protein-nucleic
Compared structures
- 2OEH · Determination of the Three-dimensional Structure of the Mrf2-DNA Complex Using… · the same entry in another collection · chain B against B, TM-score 1.00
- Q14865 · AlphaFold monomer V2.0 prediction for at-rich interactive domain- containing protein 5B… · a predicted model of the same protein · chain A against A, TM-score 0.69
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 Q14865
- Elsewhere: RCSB PDB 2OEH · PDBe 2OEH · UniProt Q14865
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