MolNFT v1 · #128866 · protein
Human BRD2(BD2) mutant in complex with me-AM1
5O3E · Bromodomain-containing protein 2: “Human BRD2(BD2) mutant in complex with me-AM1”. X-ray diffraction, 3 ligands (9HW, DQW, CL), 1 pocket (best druggability 0.53). MolNFT v1 #128866 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5O3E
- Type
- protein
- Length
- 109 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Ligands
- 9HW, DQW, CL
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 109 | 69% helix, 0% strand | P25440 |
Ligands and binding sites
- 9HW · (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide · ligand · chains A
- DQW · (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol · ligand · chains A
- CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 123 | 0.53 | 0.81 | 20 | 9HW |
Compared structures
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 5O3E · PDBe 5O3E · UniProt P25440
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