MolNFT v1 · #128936 · protein
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
5O5F · Peregrin: “Crystal structure of the human BRPF1 bromodomain in complex with BZ038”. X-ray diffraction, 2 ligands (9LT, NO3), 1 pocket (best druggability 0.51). MolNFT v1 #128936 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5O5F
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peregrin
- UniProt
- P55201
- Ligands
- 9LT, NO3
- Pockets
- 1 · best druggability 0.51
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
- 9LT · 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide · ligand · chains A
- NO3 · Nitrate ion · ion · 2 copies · 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 | 75 | 0.51 | 0.84 | 16 | 9LT |
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 5O5F · PDBe 5O5F · UniProt P55201
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