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Determination of the three-dimensional structure of the MRF2-DNA complex using paramagnetic spin labeling

Analyse Determination of the three-dimensional structure of the MRF2-DNA complex using… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(P*TP*AP*CP*AP*AP*TP*AP*TP*AP*AP*CP*GP*TP*CP*G)-3'dna15——
C5'-D(P*CP*GP*AP*CP*GP*TP*TP*AP*TP*AP*TP*TP*GP*T)-3'dna14——
AAt-rich interactive domain-containing protein 5Bprotein10755% helix, 0% strandQ14865

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11790.490.7720empty
21550.420.7525empty

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

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