MolNFT v1 · #146302 · protein
Crystal structure of the human BRD2 BD1 bromodomain in complex with a tetrahydroquinoline analogue
6DDI: “Crystal structure of the human BRD2 BD1 bromodomain in complex with a tetrahydroquinoline analogue”. X-ray diffraction, 3 ligands (G7V, 03S, SO4). MolNFT v1 #146302 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DDI
- Type
- protein
- Length
- 329 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P25440
- Ligands
- G7V, 03S, SO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 115 | — | P25440 |
| B, C | — | protein | 107 | — | P25440 |
Ligands and binding sites
- G7V · 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2, 3,4-tetrahydroquinolin-4-yl]amino}benzonitrile · ligand · 3 copies · chains A, B, C
- 03S · methanesulfonic acid · ligand · chains B
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6DDI · Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline… · 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 B against A, TM-score 0.99
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 6DDI · PDBe 6DDI · UniProt P25440
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