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MolNFT v1 · #60322 · protein + DNA

Crystal structure of FOXO1 dbd bound to DBE2 DNA

3CO7 · DNA (5'- D(*DTP*DCP*DTP*DTP*DGP*DTP*DTP*DTP*DAP*DCP*DAP*DTP*…: “Crystal structure of FOXO1 dbd bound to DBE2 DNA”. X-ray diffraction, 8 pockets (best druggability 0.38). MolNFT v1 #60322 on GenesisL1: 3D structure, binding sites and…

PDB
3CO7
Type
protein + DNA
Length
238 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*DTP*DCP*DTP*DTP*DGP*DTP*DTP*DTP*DAP*DCP*DAP*DTP*DTP*DTP*DTP*DG)- 3'); DNA…
UniProt
Q12778
Pockets
8 · best druggability 0.38

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DDNA (5'- D(*DTP*DCP*DTP*DTP*DGP*DTP*DTP*DTP*DAP*DCP*DAP*DTP*DTP*DTP*DTP*DG)- 3')dna16——
B, EDNA (5'- D(*DCP*DAP*DAP*DAP*DAP*DTP*DGP*DTP*DAP*DAP*DAP*DCP*DAP*DAP*DGP*DA)- 3')dna16——
C, FForkhead box protein O1protein8740% helix, 14% strandQ12778

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.380.7814empty
2870.380.7715empty
31400.380.7416empty
41100.370.7419empty
51030.340.7416empty

Interfaces

10 interfaces between chains.

  • A–B · 717 Ų buried · 55 hydrogen bonds · nucleic-nucleic
  • D–E · 713 Ų buried · 56 hydrogen bonds · nucleic-nucleic
  • A–C · 488 Ų buried · 8 hydrogen bonds · protein-nucleic
  • D–F · 488 Ų buried · 9 hydrogen bonds · protein-nucleic
  • B–C · 418 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 3CO7 · Crystal Structure of FoxO1 DBD Bound to DBE2 DNA · the same entry in another collection · chain F against F, TM-score 1.00
  • Q12778 · AlphaFold monomer V2.0 prediction for forkhead box protein O1 (Q12778) · a predicted model of the same protein · chain F against A, TM-score 0.92

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