MolNFT v1 · #181244 · protein
Crystal structure of bptf bromodomain in complex with inhibitor pdy-3- 077
7LP0 · Nucleosome-remodeling factor subunit bptf: “Crystal structure of bptf bromodomain in complex with inhibitor pdy-3- 077”. X-ray diffraction, 1 ligand (P2L), 3 pockets (best druggability 0.53). MolNFT v1 #181244 on GenesisL1: 3D…
- PDB
- 7LP0
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nucleosome-remodeling factor subunit bptf
- UniProt
- Q12830
- Ligands
- P2L
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nucleosome-remodeling factor subunit bptf | protein | 111 | 68% helix, 0% strand | Q12830 |
| B | Nucleosome-remodeling factor subunit bptf | protein | 115 | 70% helix, 2% strand | Q12830 |
Ligands and binding sites
- P2L · 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.53 | 0.85 | 19 | P2L |
| 2 | 213 | 0.51 | 0.76 | 32 | EDO |
| 3 | 84 | 0.50 | 0.83 | 18 | P2L |
Interfaces
1 interface between chains.
- A–B · 322 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7LP0 · Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-077 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q12830
- Elsewhere: RCSB PDB 7LP0 · PDBe 7LP0 · UniProt Q12830
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