MolNFT v1 · #148734 · protein
Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4- dihydroquinoxalin-1(2H)-YL)METHYL)BENZOIC acid
6FFE · Bromodomain-containing protein 2: “Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4…”. X-ray diffraction, 1 ligand (D7Q), 1 pocket (best druggability 0.46). MolNFT v1 #148734 on GenesisL1: 3D structure, binding…
- PDB
- 6FFE
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Ligands
- D7Q
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 113 | 69% helix, 0% strand | P25440 |
Ligands and binding sites
- D7Q · 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.46 | 0.78 | 19 | D7Q |
Compared structures
- 6FFE · Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(… · the same entry in another collection · chain A against A, TM-score 1.00
- P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · 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 P25440
- Elsewhere: RCSB PDB 6FFE · PDBe 6FFE · UniProt P25440
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