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MolNFT v1 · #6836 · protein + DNA

Two human C-FOS:C-JUN:DNA complexes

1FOS · DNA (5'- D(*AP*AP*TP*GP*GP*AP*TP*GP*AP*GP*TP*CP*AP*TP*AP*GP*…: “Two human C-FOS:C-JUN:DNA complexes”. X-ray diffraction, 8 pockets (best druggability 0.77). MolNFT v1 #6836 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1FOS
Type
protein + DNA
Length
314 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*AP*AP*TP*GP*GP*AP*TP*GP*AP*GP*TP*CP*AP*TP*AP*GP*GP*AP*GP*A)-3'); DNA (5'…
UniProt
P01100
Pockets
8 · best druggability 0.77

Structure

x-ray diffraction · 6 distinct chains · 96% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA (5'- D(*AP*AP*TP*GP*GP*AP*TP*GP*AP*GP*TP*CP*AP*TP*AP*GP*GP*AP*GP*A)-3')dna20——
B, DDNA (5'- D(*TP*TP*CP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*AP*TP*CP*CP*AP*T)-3')dna20——
EP55-C-fos proto-oncogene proteinprotein6095% helix, 0% strandP01100
FC-jun proto-oncogene proteinprotein5796% helix, 0% strand—
GP55-C-fos proto-oncogene proteinprotein5997% helix, 0% strandP01100
HC-jun proto-oncogene proteinprotein5895% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17060.770.8252empty
22310.750.9025empty
31010.520.8315empty
41320.470.7817empty
5950.440.7917empty

Interfaces

19 interfaces between chains.

  • E–F · 1247 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 1222 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 848 Ų buried · 89 hydrogen bonds · nucleic-nucleic
  • A–B · 841 Ų buried · 87 hydrogen bonds · nucleic-nucleic
  • D–G · 405 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 1FOS · Two human C-FOS:C-JUN:DNA complexes · the same entry in another collection · chain H against H, TM-score 1.00
  • P01100 · AlphaFold monomer V2.0 prediction for proto-oncogene C-fos (P01100) · a predicted model of the same protein · chain G against A, TM-score 0.90

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