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Homodimer of tale type homeobox transcription factor MEIS1 complexes with specific DNA

Analyse Homodimer of tale type homeobox transcription factor MEIS1 complexes with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XRM
Type
protein + DNA
Length
157 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3'); DNA (5'…
UniProt
O14770
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 4 distinct chains · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
MDNA (5'- D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3')dna17——
LDNA (5'- D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3')dna17——
AHomeobox protein MEIS2protein5969% helix, 0% strandO14770
BHomeobox protein MEIS2protein6467% helix, 0% strandO14770

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains M, L, A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12930.570.7823TRS
2820.290.7314empty

Interfaces

5 interfaces between chains.

  • M–L · 785 Ų buried · 76 hydrogen bonds · nucleic-nucleic
  • M–B · 366 Ų buried · 8 hydrogen bonds · protein-nucleic
  • L–A · 358 Ų buried · 6 hydrogen bonds · protein-nucleic
  • M–A · 318 Ų buried · 7 hydrogen bonds · protein-nucleic
  • L–B · 318 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 4XRM · homodimer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA · the same entry in another collection · chain M against M, TM-score 1.00
  • O14770 · AlphaFold monomer V2.0 prediction for homeobox protein MEIS2 (O14770) · a predicted model of the same protein · chain A against A, TM-score 0.93

Analyse

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