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MolNFT v1 · #61246 · protein + DNA

Opposite gata DNA binding

3DFX · DNA (5'- D(*DTP*DTP*DGP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DGP*…: “Opposite gata DNA binding”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.55). MolNFT v1 #61246 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3DFX
Type
protein + DNA
Length
156 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*DTP*DTP*DGP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DGP*DAP*DGP*DAP*DTP*DA…
UniProt
P23772
Ligands
ZN
Pockets
6 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XDNA (5'- D(*DTP*DTP*DGP*DAP*DTP*DAP*DAP*DAP*DTP*DCP*DAP*DGP*DAP*DGP*DAP*DTP*DA P*DAP*DCP*DC)-3')dna20——
YDNA (5'- D(*DAP*DAP*DGP*DGP*DTP*DTP*DAP*DTP*DCP*DTP*DCP*DTP*DGP*DAP*DTP*DTP*DT P*DAP*DTP*DC)-3')dna20——
A, BTrans-acting T-cell-specific transcription factor gata-3protein5822% helix, 0% strandP23772

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13520.550.7429empty
21920.540.7926empty
31480.520.8025empty
41670.500.7824empty
51170.460.7823empty

Interfaces

5 interfaces between chains.

  • X–Y · 794 Ų buried · 68 hydrogen bonds · nucleic-nucleic
  • X–A · 582 Ų buried · 13 hydrogen bonds · protein-nucleic
  • Y–B · 553 Ų buried · 14 hydrogen bonds · protein-nucleic
  • X–B · 427 Ų buried · 10 hydrogen bonds · protein-nucleic
  • Y–A · 378 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 3DFX · Opposite GATA DNA binding · the same entry in another collection · chain X against X, TM-score 1.00
  • P23772 · AlphaFold monomer V2.0 prediction for trans-acting T-cell-specific transcription factor… · a predicted model of the same protein · chain B against A, TM-score 0.95

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