MolNFT v1 · #172126 · protein
Crystal structure of the fifth bromodomain of human protein polybromo- 1 in complex with tert-butyl 4-[3-amino-6-(2-HYDROXYPHENYL)PYRIDAZIN- 4-YL]PIPERAZINE-1-carboxylate
6ZS4 · Protein polybromo-1: “Crystal structure of the fifth bromodomain of human protein polybromo- 1 in complex with tert-butyl…”. X-ray diffraction, 1 ligand (QP8), 1 pocket (best druggability 0.49). MolNFT v1 #172126 on GenesisL1: 3D…
- PDB
- 6ZS4
- Type
- protein
- Length
- 110 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein polybromo-1
- UniProt
- Q86U86
- Ligands
- QP8
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein polybromo-1 | protein | 110 | 65% helix, 2% strand | Q86U86 |
Ligands and binding sites
- QP8 · tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 68 | 0.49 | 0.84 | 16 | QP8 |
Compared structures
- 6ZS4 · Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q86U86 · AlphaFold monomer V2.0 prediction for protein polybromo-1 (Q86U86) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q86U86
- Elsewhere: RCSB PDB 6ZS4 · PDBe 6ZS4 · UniProt Q86U86
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