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MolNFT v1 · #156993 · protein + DNA

ZBTB24 zinc fingers 4-8 with 19+1MER DNA oligonucleotide (sequence 4 with a cpg 5MC modification)

6ML7 · Zinc finger and btb domain-containing protein 24: “ZBTB24 zinc fingers 4-8 with 19+1MER DNA oligonucleotide (sequence 4 with a cpg 5MC modification)”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.61). MolNFT v1…

PDB
6ML7
Type
protein + DNA
Length
183 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zinc finger and btb domain-containing protein 24; DNA…
UniProt
Q80X44
Ligands
ZN
Pockets
5 · best druggability 0.61

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AZinc finger and btb domain-containing protein 24protein14343% helix, 13% strandQ80X44
EDNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*(5CM) P*GP*AP*AP*TP*T)-3')dna20——
FDNA (5'- D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3')dna20——

Ligands and binding sites

  • ZN · Zinc ion · metal · 5 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, E, F
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains E, F

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14080.610.7629empty
21650.600.8317empty
31170.580.8522empty
4570.500.8718empty
51130.410.7617empty

Interfaces

3 interfaces between chains.

  • A–E · 1187 Ų buried · 16 hydrogen bonds · protein-nucleic
  • E–F · 897 Ų buried · 88 hydrogen bonds · nucleic-nucleic
  • A–F · 753 Ų buried · 17 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 6ML7 · ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpG 5mC… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q80X44 · AlphaFold monomer V2.0 prediction for zinc finger and btb domain- containing protein 24… · a predicted model of the same protein · chain A against A, TM-score 0.69

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