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Heterodimeric complex of transcription factors MEIS1 and DLX3 on specific DNA

Analyse Heterodimeric complex of transcription factors MEIS1 and DLX3 on specific DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XRS
Type
protein + DNA
Length
292 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(P*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*A)- 3'); DNA (5'…
UniProt
O00470, O60479
Pockets
10 · best druggability 0.79

Structure

x-ray diffraction · 7 distinct chains · 39% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
MDNA (5'-D(P*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*A)- 3')dna15——
DDNA (5'- D(P*AP*CP*AP*AP*TP*TP*AP*TP*CP*CP*TP*GP*TP*CP*AP*AP*C)-3')dna17——
EDNA (5'- D(P*GP*TP*TP*GP*AP*CP*AP*GP*GP*AP*TP*AP*AP*TP*TP*GP*TP*T)-3')dna18——
LDNA (5'- D(P*TP*TP*GP*AP*CP*AP*GP*GP*AP*TP*AP*AP*TP*TP*GP*T)-3')dna16——
AHomeobox protein MEIS1protein5632% helix, 0% strandO00470
BHomeobox protein MEIS1protein5848% helix, 0% strandO00470
G, IHomeobox protein dlx-3protein5636% helix, 0% strandO60479

Pockets

10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111820.790.81102empty
2720.660.9316empty
31400.610.8525empty
43090.590.7823empty
52040.560.7923empty

Interfaces

14 interfaces between chains.

  • D–E · 754 Ų buried · 42 hydrogen bonds · nucleic-nucleic
  • M–L · 639 Ų buried · 38 hydrogen bonds · nucleic-nucleic
  • E–I · 454 Ų buried · 15 hydrogen bonds · protein-nucleic
  • L–G · 405 Ų buried · 17 hydrogen bonds · protein-nucleic
  • E–B · 327 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 4XRS · Heterodimeric complex of transcription factors MEIS1 and DLX3 on specific DNA · the same entry in another collection · chain I against I, TM-score 1.00
  • O00470 · AlphaFold monomer V2.0 prediction for homeobox protein MEIS1 (O00470) · a predicted model of the same protein · chain A against A, TM-score 0.75
  • O60479 · AlphaFold monomer V2.0 prediction for homeobox protein dlx-3 (O60479) · a predicted model of the same protein · chain G against A, TM-score 0.67

Analyse

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