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MolNFT v1 · #28901 · protein + DNA

The GCN4 basic region leucine zipper binds DNA as a dimer of uninterrupted alpha helices: crystal structure of the protein-DNA complex

1YSA · DNA (5'- D(*TP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*AP*TP*CP*CP*…: “The GCN4 basic region leucine zipper binds DNA as a dimer of uninterrupted alpha helices: crystal structure…”. X-ray diffraction, 2 pockets (best druggability 0.70).…

PDB
1YSA
Type
protein + DNA
Length
154 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*AP*TP*CP*CP*A P*GP*TP*T)-3'); DNA (5'…
UniProt
P03069
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 4 distinct chains · 88% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'- D(*TP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*AP*TP*CP*CP*A P*GP*TP*T)-3')dna20——
BDNA (5'- D(*AP*AP*AP*CP*TP*GP*GP*AP*TP*GP*AP*GP*TP*CP*AP*TP*A P*GP*GP*A)-3')dna20——
CProtein (GCN4)protein5788% helix, 0% strandP03069
DProtein (GCN4)protein5788% helix, 0% strandP03069

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14640.700.8134empty
2800.460.8214empty

Interfaces

6 interfaces between chains.

  • C–D · 941 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 829 Ų buried · 74 hydrogen bonds · nucleic-nucleic
  • A–D · 327 Ų buried · 3 hydrogen bonds · protein-nucleic
  • B–D · 321 Ų buried · 8 hydrogen bonds · protein-nucleic
  • B–C · 306 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 1YSA · The GCN4 basic region leucine zipper binds DNA as a dimer of uninterrupted alpha helices… · the same entry in another collection · chain A against A, TM-score 1.00
  • P03069 · AlphaFold monomer V2.0 prediction for general control transcription factor GCN4 (P03069) · a predicted model of the same protein · chain C against A, TM-score 0.85

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