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Crystal structure of the dimerization domains P50 and relb

Analyse Crystal structure of the dimerization domains P50 and relb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JV4
Type
protein
Length
645 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription factor relb; Nuclear factor nf-kappa-B P105 subunit
UniProt
Q04863, P25799
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 4% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, ETranscription factor relbprotein1013% helix, 37% strandQ04863
B, DNuclear factor nf-kappa-B P105 subunitprotein1153% helix, 40% strandP25799
FNuclear factor nf-kappa-B P105 subunitprotein1125% helix, 41% strandP25799

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14850.670.7951empty
21860.530.7841empty
31140.520.8221empty
41500.510.7926empty
51100.390.7523empty

Interfaces

8 interfaces between chains.

  • A–B · 801 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 797 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 756 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 742 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 342 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3JV4 · Crystal structure of the dimerization domains p50 and RelB · the same entry in another collection · chain F against F, TM-score 1.00
  • Q04863 · AlphaFold monomer V2.0 prediction for transcription factor relb (Q04863) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P25799 · AlphaFold monomer V2.0 prediction for nuclear factor nf-kappa-B P105 subunit (P25799) · a predicted model of the same protein · chain F against A, TM-score 0.95

Analyse

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