MolNFT v1 · #180659 · protein
Crystal structure of the second bromodomain (BD2) of human BRD3 bound to RO3280
7L72 · Bromodomain-containing protein 3: “Crystal structure of the second bromodomain (BD2) of human BRD3 bound to RO3280”. X-ray diffraction, 1 ligand (79C), 1 pocket (best druggability 0.50). MolNFT v1 #180659 on GenesisL1: 3D structure…
- PDB
- 7L72
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 3
- UniProt
- Q15059
- Ligands
- 79C
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 3 | protein | 113 | 67% helix, 0% strand | Q15059 |
Ligands and binding sites
- 79C · 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl) amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · ligand · 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 | 124 | 0.50 | 0.79 | 21 | 79C |
Compared structures
- 7L72 · Crystal structure of the second bromodomain (BD2) of human BRD3 bound to Ro3280 · 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 0.95
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
- Elsewhere: RCSB PDB 7L72 · PDBe 7L72 · UniProt Q15059
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