MolNFT v1 · #110895 · protein
Crystal structure of TRIM24 phd-bromodomain complexed with 2,4- dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-YL)BENZENE- 1-sulfonamide (3B)
4YAD · Transcription intermediary factor 1-alpha: “Crystal structure of TRIM24 phd-bromodomain complexed with 2,4…”. X-ray diffraction, 3 ligands (4A7, ZN, CL), 4 pockets (best druggability 0.44). MolNFT v1 #110895 on GenesisL1: 3D…
- PDB
- 4YAD
- Type
- protein
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription intermediary factor 1-alpha
- EC
- 6.3.2.-
- UniProt
- O15164
- Ligands
- 4A7, ZN, CL
- Pockets
- 4 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcription intermediary factor 1-alpha (EC 6.3.2.-) | protein | 178 | 41% helix, 2% strand | O15164 |
Ligands and binding sites
- 4A7 · 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.44 | 0.82 | 16 | 4A7 |
| 2 | 134 | 0.44 | 0.76 | 24 | empty |
| 3 | 65 | 0.43 | 0.81 | 17 | 4A7 |
| 4 | 109 | 0.41 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 128 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4YAD · Crystal structure of TRIM24 PHD-bromodomain complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- O15164 · AlphaFold monomer V2.0 prediction for transcription intermediary factor 1-alpha (O15164) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O15164
- Elsewhere: RCSB PDB 4YAD · PDBe 4YAD · UniProt O15164
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