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C-terminal bzip domain of human C/EBPBETA bound to DNA with consensus recognition with gt mismatch

Analyse C-terminal bzip domain of human C/EBPBETA bound to DNA with consensus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7L4V
Type
protein + DNA
Length
167 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CCAAT/ENHANCER-binding protein beta; DNA strand 1; DNA strand 2
UniProt
P17676
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 88% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACCAAT/ENHANCER-binding protein betaprotein6688% helix, 0% strandP17676
BCCAAT/ENHANCER-binding protein betaprotein6988% helix, 0% strandP17676
CDNA strand 1dna16——
DDNA strand 2dna16——

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, D, B, C

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
15230.690.7934EDO
2560.320.7714empty

Interfaces

6 interfaces between chains.

  • A–B · 1010 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 714 Ų buried · 59 hydrogen bonds · nucleic-nucleic
  • A–C · 431 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–D · 413 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–D · 368 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 7L4V · C-terminal bZIP domain of human C/EBPbeta Bound to DNA with Consensus Recognition with GT… · 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 0.88

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