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Crystal structure of the CHP2 chromoshadow domain in complex with N- terminal domain of chromatin remodeler MIT1

Analyse Crystal structure of the CHP2 chromoshadow domain in complex with N- terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FTO
Type
protein
Length
207 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromo domain-containing protein 2; Chromatin remodeling factor MIT1
EC
3.6.4.-
UniProt
O42934, Q9P793
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BChromo domain-containing protein 2protein6624% helix, 36% strandO42934
CChromatin remodeling factor MIT1 (EC 3.6.4.-)protein7532% helix, 35% strandQ9P793

Ligands and binding sites

  • HEZ · Hexane-1,6-diol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13860.660.7932empty
2520.310.7617HEZ

Interfaces

3 interfaces between chains.

  • A–C · 1306 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 638 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 489 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6FTO · Crystal structure of the Chp2 chromoshadow domain in complex with N-terminal domain of… · the same entry in another collection · chain A against A, TM-score 1.00
  • O42934 · AlphaFold monomer V2.0 prediction for chromo domain-containing protein 2 (O42934) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9P793 · AlphaFold monomer V2.0 prediction for chromatin remodeling factor MIT1 (Q9P793) · a predicted model of the same protein · chain C against A, TM-score 0.69

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