MolNFT v1 · #122133 · protein
Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3
5IG6 · Bromodomain-containing protein 2: “Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3”. X-ray diffraction, 2 ligands (6B3, CL), 1 pocket (best druggability 0.49). MolNFT v1 #122133 on…
- PDB
- 5IG6
- Type
- protein
- Length
- 115 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Ligands
- 6B3, CL
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 115 | 67% helix, 0% strand | P25440 |
Ligands and binding sites
- 6B3 · 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
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 | 114 | 0.49 | 0.80 | 19 | 6B3 |
Compared structures
- 5IG6 · Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P25440
- Elsewhere: RCSB PDB 5IG6 · PDBe 5IG6 · UniProt P25440
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