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Crystal structure of C/EBPBETA bzip homodimer K269A mutant bound to a high affinity DNA fragment

Analyse Crystal structure of C/EBPBETA bzip homodimer K269A mutant bound to a high… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2E43
Type
protein + DNA
Length
158 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(P*DTP*DAP*DGP*DGP*DAP*DTP*DTP*DGP*DCP*DGP*DCP*DAP*DAP*DTP*DAP*DT)- 3'); DNA…
UniProt
P17676
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 94% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA (5'- D(P*DTP*DAP*DGP*DGP*DAP*DTP*DTP*DGP*DCP*DGP*DCP*DAP*DAP*DTP*DAP*DT)- 3')dna16——
DDNA (5'- D(P*DAP*DAP*DTP*DAP*DTP*DTP*DGP*DCP*DGP*DCP*DAP*DAP*DTP*DCP*DCP*DT)- 3')dna16——
ACCAAT/ENHANCER-binding protein betaprotein6294% helix, 0% strandP17676
BCCAAT/ENHANCER-binding protein betaprotein6495% helix, 0% strandP17676

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15080.680.7933empty
21000.440.7912empty
31180.430.7717empty

Interfaces

6 interfaces between chains.

  • A–B · 1001 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 663 Ų buried · 51 hydrogen bonds · nucleic-nucleic
  • C–A · 396 Ų buried · 11 hydrogen bonds · protein-nucleic
  • C–B · 390 Ų buried · 6 hydrogen bonds · protein-nucleic
  • D–A · 344 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 2E43 · Crystal structure of C/EBPbeta Bzip homodimer K269A mutant bound to A High Affinity DNA… · the same entry in another collection · chain C against C, TM-score 1.00
  • P17676 · AlphaFold monomer V2.0 prediction for CCAAT/ENHANCER-binding protein beta (P17676) · a predicted model of the same protein · chain B against A, TM-score 0.92

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