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Structural basis for the hierarchical assembly of the core of PRC1.1

Analyse Structural basis for the hierarchical assembly of the core of PRC1.1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JH5
Type
protein
Length
609 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysine-specific demethylase 2B; S-phase kinase-associated protein 1; Polycomb group ring…
EC
1.14.11.27
UniProt
Q8NHM5, P63208, Q9BSM1, Q5H9F3
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysine-specific demethylase 2B (EC 1.14.11.27)protein26737% helix, 13% strandQ8NHM5
BS-phase kinase-associated protein 1protein14952% helix, 8% strandP63208
CPolycomb group ring finger protein 1protein8830% helix, 34% strandQ9BSM1
DBCL-6 corepressor-like protein 1protein10529% helix, 30% strandQ5H9F3

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13060.680.8351empty
21480.600.8424empty
32360.480.7428empty
4970.450.8024empty

Interfaces

4 interfaces between chains.

  • C–D · 1531 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1371 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 839 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 367 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

  • 5JH5 · Structural Basis for the Hierarchical Assembly of the Core of PRC1.1 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9BSM1 · AlphaFold monomer V2.0 prediction for polycomb group ring finger protein 1 (Q9BSM1) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • Q8NHM5 · AlphaFold monomer V2.0 prediction for lysine-specific demethylase 2B (Q8NHM5) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P63208 · AlphaFold monomer V2.0 prediction for S-phase kinase-associated protein 1 (P63208) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • Q5H9F3 · AlphaFold monomer V2.0 prediction for BCL-6 corepressor-like protein 1 (Q5H9F3) · a predicted model of the same protein · chain D against A, TM-score 0.90

Analyse

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