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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to atr kinase inhibitor AZ20

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

PDB
7JJG
Type
protein
Length
137 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
VCD
Pockets
1 · best druggability 0.51

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)protein13773% helix, 0% strandP21675

Ligands and binding sites

  • VCD · 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole · ligand · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11110.510.8122VCD

Compared structures

  • 7JJG · Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase… · 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 0.95

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