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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322

Analyse Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JTC
Type
protein
Length
135 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription initiation factor tfiid subunit 1
EC
2.3.1.48, 2.7.11.1
UniProt
P21675
Ligands
VK1
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1)protein13573% helix, 0% strandP21675

Ligands and binding sites

  • VK1 · 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl) pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.500.8120VK1

Compared structures

  • 7JTC · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322 · the same entry in another collection · chain A against A, TM-score 1.00
  • P21675 · AlphaFold monomer V2.0 prediction for transcription initiation factor tfiid subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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