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Crystal structure of the second bromodomain of human TAF1 in complex with bay-299 chemical probe

Analyse Crystal structure of the second bromodomain of human TAF1 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MG2
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
7M8
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1)protein13774% helix, 0% strandP21675

Ligands and binding sites

  • 7M8 · 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 3 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.500.81217M8

Compared structures

  • 5MG2 · Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299… · 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 0.97

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