Crystal structure of the cw domain of ZCWPW2 mutant F78R in complex with histone H3 peptide

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 21% strand (DSSP).

Ligands and binding sites

• ZN · Zinc ion · metal · 3 copies · chains A, B, C
• UNX · Unknown atom or ion · ion · 24 copies · chains A, B, C, D
• SO4 · Sulfate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · chains B

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

Pockets

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

Interfaces

4 interfaces between chains.

• B–D · 678 Ų buried · 13 hydrogen bonds · protein-protein
• A–C · 639 Ų buried · 12 hydrogen bonds · protein-protein
• B–C · 490 Ų buried · 7 hydrogen bonds · protein-protein
• A–B · 88 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (methylation).

Compared structures

• 4Z0R · Crystal Structure of the CW domain of ZCWPW2 mutant F78R in complex with histone H3… · the same entry in another collection · chain A against A, TM-score 1.00
• Q504Y3 · AlphaFold monomer V2.0 prediction for zinc finger cw-type pwwp domain protein 2 (Q504Y3) · a predicted model of the same protein · chain A against A, TM-score 0.87

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q504Y3
• Every structure of UniProt P68431
• Elsewhere: RCSB PDB 4Z0R · PDBe 4Z0R · UniProt Q504Y3 · UniProt P68431