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MolNFT v1 · #8207 · protein + DNA

Crystal structure of C/EBPBETA bzip homodimer bound to a DNA fragment from the mim-1 promoter

1GU5 · CAAT/ENHANCER binding protein beta: “Crystal structure of C/EBPBETA bzip homodimer bound to a DNA fragment from the mim-1 promoter”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #8207 on GenesisL1: 3D structure…

PDB
1GU5
Type
protein + DNA
Length
164 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CAAT/ENHANCER binding protein beta; 5'-D(*TP*TP*GP*TP*GP*TP*TP*GP*GP*CP*…
UniProt
P17676
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 90% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACAAT/ENHANCER binding protein betaprotein6589% helix, 0% strandP17676
BCAAT/ENHANCER binding protein betaprotein6791% helix, 0% strandP17676
C5'-D(*TP*TP*GP*TP*GP*TP*TP*GP*GP*CP* CP*AP*AP*TP*CP*A)-3'dna16——
D5'-D(*AP*TP*GP*AP*TP*TP*GP*GP*CP*CP* AP*AP*CP*AP*CP*A)-3'dna16——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14590.670.7930empty
21310.480.7917empty
31210.440.7718empty

Interfaces

6 interfaces between chains.

  • A–B · 1019 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 682 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • A–D · 386 Ų buried · 6 hydrogen bonds · protein-nucleic
  • A–C · 369 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–C · 359 Ų buried · 4 hydrogen bonds · protein-nucleic

Compared structures

  • 1GU5 · Crystal structure of C/EBPBETA BZIP homodimer bound to a DNA fragment from the MIM-1… · the same entry in another collection · chain A against A, 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 0.90

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