Research workbench
Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D consortium fragment 4-acetyl- piperazin-2-one (sgc - diamond I04-1 fragment screening)
Analyse Crystal structure of the bromodomain of human surface epitope engineered BRD1A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AME
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 1
- UniProt
- O95696
- Ligands
- PW3, NA
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bromodomain-containing protein 1 | protein | 123 | 67% helix, 0% strand | O95696 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.53 | 0.76 | 33 | empty |
| 2 | 87 | 0.47 | 0.81 | 17 | PW3 |
| 3 | 81 | 0.46 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 544 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5AME · Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- O95696 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 1 (O95696) · a predicted model of the same protein · chain B against A, TM-score 0.90
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 O95696
- Elsewhere: RCSB PDB 5AME · PDBe 5AME · UniProt O95696
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.