Research workbench
Crystal structure of chromodomain of CBX2 in complex with inhibitor UNC3866
Analyse Crystal structure of chromodomain of CBX2 in complex with inhibitor UNC3866 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5EPK
- Type
- protein
- Length
- 59 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromobox protein homolog 2; UNC3866
- UniProt
- Q14781
- Ligands
- 5R0, UNX
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chromobox protein homolog 2 | protein | 54 | 26% helix, 46% strand | Q14781 |
| B | UNC3866 | protein | 5 | 0% helix, 60% strand | — |
Ligands and binding sites
- 5R0 · 4-~{tert}-butylbenzoic acid · ligand · chains A, B
- UNX · Unknown atom or ion · ion · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified, 1 covalent (nonstandard, covalent ligand).
Compared structures
- 5EPK · Crystal Structure of chromodomain of CBX2 in complex with inhibitor UNC3866 · 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 0.95
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 Q14781
- Elsewhere: RCSB PDB 5EPK · PDBe 5EPK · UniProt Q14781
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