MolNFT v1 · #121039 · protein
BRD3 second bromodomain in complex with histone H3 acetylation at K18
5HJC · Bromodomain-containing protein 3: “BRD3 second bromodomain in complex with histone H3 acetylation at K18”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.35). MolNFT v1 #121039 on GenesisL1: 3D structure, binding…
- PDB
- 5HJC
- Type
- protein
- Length
- 119 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 3; Peptide of histone H3.1
- UniProt
- Q15059, P68431
- Ligands
- CL
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 3 | protein | 110 | 65% helix, 0% strand | Q15059 |
| B | Peptide of histone H3.1 | protein | 9 | 0% helix, 0% strand | P68431 |
Ligands and binding sites
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.35 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 508 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 5HJC · BRD3 second bromodomain in complex with histone H3 acetylation at K18 · the same entry in another collection · chain A against A, TM-score 1.00
- Q15059 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 3 (Q15059) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q15059
- Every structure of UniProt P68431
- Elsewhere: RCSB PDB 5HJC · PDBe 5HJC · UniProt Q15059 · UniProt P68431
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