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Crystal structure of the JUN/CRE complex

Analyse Crystal structure of the JUN/CRE complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JNM
Type
protein + DNA
Length
153 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*CP*GP*TP*CP*GP*AP*TP*GP*AP*CP*GP*TP*CP*AP*TP*CP*GP*AP *CP*G)-3'; Proto-oncogene…
UniProt
P05412
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 93% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D5'-D(*CP*GP*TP*CP*GP*AP*TP*GP*AP*CP*GP*TP*CP*AP*TP*CP*GP*AP *CP*G)-3'dna20——
AProto-oncogene C-junprotein5693% helix, 0% strandP05412
BProto-oncogene C-junprotein5793% helix, 0% strandP05412

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13240.710.8433empty
2940.500.8216empty
3840.470.8216empty

Interfaces

6 interfaces between chains.

  • A–B · 1043 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 888 Ų buried · 91 hydrogen bonds · nucleic-nucleic
  • C–A · 365 Ų buried · 5 hydrogen bonds · protein-nucleic
  • C–B · 364 Ų buried · 8 hydrogen bonds · protein-nucleic
  • D–B · 338 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 1JNM · Crystal Structure of the Jun/CRE Complex · the same entry in another collection · chain C against C, TM-score 1.00
  • P05412 · AlphaFold monomer V2.0 prediction for transcription factor ap-1 (P05412) · a predicted model of the same protein · chain B against A, TM-score 0.83

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