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Crystal structure of the human PYGO2 phd finger in complex with the B9L HD1 domain

Analyse Crystal structure of the human PYGO2 phd finger in complex with the B9L HD1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XB1
Type
protein
Length
193 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pygopus homolog 2, B-cell CLL/LYMPHOMA 9-like protein
UniProt
Q9BRQ0, Q86UU0
Ligands
ZN
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APygopus homolog 2, B-cell CLL/LYMPHOMA 9-like proteinprotein9639% helix, 15% strandQ9BRQ0, Q86UU0
CPygopus homolog 2, B-cell CLL/LYMPHOMA 9-like proteinprotein9738% helix, 14% strandQ9BRQ0, Q86UU0

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, C
  • GOL · Glycerol · additive · 2 copies · chains A, C
  • PEG · Di(hydroxyethyl)ether · additive · chains C

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1990.380.7521empty
2600.340.7711empty

Interfaces

1 interface between chains.

  • A–C · 376 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 2XB1 · Crystal structure of the human Pygo2 PHD finger in complex with the B9L HD1 domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9BRQ0 · AlphaFold monomer V2.0 prediction for pygopus homolog 2 (Q9BRQ0) · a predicted model of the same protein · chain C against A, TM-score 0.65
  • Q86UU0 · AlphaFold monomer V2.0 prediction for B-cell CLL/LYMPHOMA 9-like protein (Q86UU0) · a predicted model of the same protein · chain C against A, TM-score 0.25

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