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MolNFT v1 · #180783 · protein

Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295

7LB0 · Transcription initiation factor tfiid subunit 1: “Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295”. X-ray diffraction, 1 ligand (XXV), 3 pockets (best druggability 0.65). MolNFT v1 #180783 on…

PDB
7LB0
Type
protein
Length
248 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
XXV
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1)protein24870% helix, 0% strandP21675

Ligands and binding sites

  • XXV · 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide · ligand · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14040.650.7842XXV
2760.440.8017empty
3730.330.7515empty

Compared structures

  • 7LB0 · Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295 · the same entry in another collection · chain A against A, TM-score 1.00

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