MolNFT v1 · #148735 · protein
Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl- 4-(2-(HYDROXYMETHYL)BENZYL)-1,2,3,4-tetrahydroquinoxalin-6-yl) pyrimidine-2-carboxamide
6FFF · Bromodomain-containing protein 2: “Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl…”. X-ray diffraction, 1 ligand (D7H), 1 pocket (best druggability 0.48). MolNFT v1 #148735 on GenesisL1: 3D structure, binding…
- PDB
- 6FFF
- 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
- D7H
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 113 | 66% helix, 0% strand | P25440 |
Ligands and binding sites
- D7H · (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl) benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · 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 | 116 | 0.48 | 0.79 | 21 | D7H |
Compared structures
- 6FFF · Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)b… · 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 0.98
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 6FFF · PDBe 6FFF · UniProt P25440
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