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Crystal structure of TRIM24 phd-bromodomain complexed with N-{1,3- dimethyl-6-[3-(2-METHYLPROPOXY)PHENOXY]-2-oxo-2,3-dihydro-1H-1,3- benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7G)

Analyse Crystal structure of TRIM24 phd-bromodomain complexed with N-{1,3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YBS
Type
protein
Length
178 residues
Chains
1
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
4BK, ZN
Pockets
2 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription intermediary factor 1-alpha (EC 6.3.2.-)protein17842% helix, 2% strandO15164

Ligands and binding sites

  • 4BK · N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.420.8117empty
21210.400.7520empty

Compared structures

  • 4YBS · 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

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