MolNFT v1 · #120894 · protein
Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2
5HEN · Bromodomain-containing protein 2: “Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2”. X-ray diffraction, 6 pockets (best druggability 0.69). MolNFT v1 #120894 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5HEN
- Type
- protein
- Length
- 325 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 64% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 109 | 64% helix, 0% strand | P25440 |
| B | Bromodomain-containing protein 2 | protein | 111 | 64% helix, 0% strand | P25440 |
| C | Bromodomain-containing protein 2 | protein | 105 | 64% helix, 0% strand | P25440 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.69 | 0.80 | 44 | EDO |
| 2 | 92 | 0.50 | 0.82 | 19 | EDO |
| 3 | 119 | 0.48 | 0.79 | 21 | EDO |
| 4 | 107 | 0.39 | 0.75 | 20 | empty |
| 5 | 113 | 0.36 | 0.73 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1039 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 290 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 83 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5HEN · Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 · 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 B 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 P25440
- Elsewhere: RCSB PDB 5HEN · PDBe 5HEN · UniProt P25440
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.