MolNFT v1 · #188999 · protein
First bromodomain of brdt liganded with compound 2C
7UUU · Bromodomain testis-specific protein: “First bromodomain of brdt liganded with compound 2C”. X-ray diffraction, 1 ligand (OFR), 1 pocket (best druggability 0.51). MolNFT v1 #188999 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7UUU
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain testis-specific protein
- UniProt
- Q58F21
- Ligands
- OFR
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain testis-specific protein | protein | 113 | 60% helix, 0% strand | Q58F21 |
Ligands and binding sites
- OFR · Prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2, 3-d]pyrimidine-6-carboxylate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 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 | 94 | 0.51 | 0.82 | 20 | OFR |
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 Q58F21
- Elsewhere: RCSB PDB 7UUU · PDBe 7UUU · UniProt Q58F21
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