MolNFT v1 · #128926 · protein
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
5O55 · Peregrin: “Crystal structure of the human BRPF1 bromodomain in complex with BZ047”. X-ray diffraction, 2 ligands (9L5, NO3), 1 pocket (best druggability 0.48). MolNFT v1 #128926 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5O55
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peregrin
- UniProt
- P55201
- Ligands
- 9L5, NO3
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peregrin | protein | 113 | 66% helix, 0% strand | P55201 |
Ligands and binding sites
- 9L5 · ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide · ligand · chains A
- NO3 · Nitrate 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.48 | 0.82 | 18 | 9L5 |
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 P55201
- Elsewhere: RCSB PDB 5O55 · PDBe 5O55 · UniProt P55201
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