MolNFT v1 · #127452 · protein
Crystal structure of the human BRPF1 bromodomain in complex with BZ073
5MWZ · Peregrin: “Crystal structure of the human BRPF1 bromodomain in complex with BZ073”. X-ray diffraction, 1 ligand (KGU), 1 pocket (best druggability 0.46). MolNFT v1 #127452 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5MWZ
- Type
- protein
- Length
- 114 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peregrin
- UniProt
- P55201
- Ligands
- KGU
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peregrin | protein | 114 | 68% helix, 0% strand | P55201 |
Ligands and binding sites
- KGU · ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide · 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 | 79 | 0.46 | 0.81 | 17 | KGU |
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 5MWZ · PDBe 5MWZ · UniProt P55201
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