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Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide

Analyse Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3H91
Type
protein
Length
122 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromobox protein homolog 2; H3K27 peptide
UniProt
Q14781
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BChromobox protein homolog 2protein5227% helix, 50% strandQ14781
C, DH3K27 peptideprotein90% helix, 33% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13010.530.7433empty

Interfaces

3 interfaces between chains.

  • A–C · 769 Ų buried · 18 hydrogen bonds · protein-protein
  • B–D · 768 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 358 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (methylation).

Compared structures

  • 3H91 · Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14781 · AlphaFold monomer V2.0 prediction for chromobox protein homolog 2 (Q14781) · a predicted model of the same protein · chain A against A, TM-score 0.93

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