Research workbench
crystal structure of Arabidopsis AIPP3 BAH domain in complex with an H3K27me3 peptide
Analyse crystal structure of Arabidopsis AIPP3 BAH domain in complex with an H3K27me3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CCE
- Type
- protein
- Length
- 171 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.404
- Source
- Arabidopsis thaliana; SYNTHETIC CONSTRUCT
- Molecule
- Bromo-adjacent homology (BAH) domain-containing protein; Histone H3.2
- UniProt
- Q8RXT5, P59226
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · resolution 2.404 · 2 distinct chains · 12% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromo-adjacent homology (BAH) domain-containing protein | protein | 159 | 13% helix, 42% strand | Q8RXT5 |
| P | Histone H3.2 | protein | 12 | 0% helix, 8% strand | P59226 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.39 | 0.78 | 14 | TRS |
| 2 | 65 | 0.30 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–P · 696 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 7CCE · Crystal structure of arabidopsis AIPP3 bah domain in complex with an H3K27ME3 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P59226 · AlphaFold monomer V2.0 prediction for histone H3.2 (P59226) · a predicted model of the same protein · chain P against A, TM-score 0.37
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 Q8RXT5
- Every structure of UniProt P59226
- Elsewhere: RCSB PDB 7CCE · PDBe 7CCE · UniProt Q8RXT5 · UniProt P59226
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