7JJG: Second bromodomain (BD2) of human TAF1

Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZ20. Determined by X-ray diffraction at 1.6 Å resolution. Released 28 Jul 2021.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,311
Mol. weight: 16.45 kDa
Ligands: VCD
Released: 28 Jul 2021

Explore 7JJG in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7JJG contains 9 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 0 β-strands

Element	Residues	Length
α-helix	1500-1513	14
α-helix	1514-1519	6
α-helix	1526-1528	3
α-helix	1531-1533	3
α-helix	1540-1543	4
α-helix	1550-1558	9
α-helix	1565-1583	19
α-helix	1588-1606	19
α-helix	1608-1633	26

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Transcription initiation factor TFIID subunit 1	A	protein	137	Homo sapiens	P21675 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7JJG_1 Transcription initiation factor TFIID subunit 1 (chains A)
SMDDDQVAFSFILDNIVTQKMMAVPDSWPFHHPVNKKFVPDYYKVIVNPMDLETIRKNIS
KHKYQSRESFLDDVNLILANSVKYNGPESQYTKTAQEIVNVCYQTLTEYDEHLTQLEKDI
CTAKEAALEEAELESLD

Ligands and cofactors

ID	Name	Formula	Copies
VCD	4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2…	C21 H24 N4 O3 S	1

Water and common crystallization additives (GOL, EDO) are not listed.

Primary citation

Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. Karim, R.M., Yang, L., Chen, L. et al. J Med Chem (2022) 65:4182-4200. DOI 10.1021/acs.jmedchem.1c01999 · PubMed

Other PDB entries of the same protein (UniProt P21675 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5I29 1.21 Å, TAF1(2) bound to a pyrrolopyridone compound
7LB1 1.35 Å, Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585
4YYM 1.5 Å, Crystal structure of TAF1 BD2 Bromodomain bound to a butyryllysine peptide
5I1Q 1.5 Å, Second bromodomain of TAF1 bound to a pyrrolopyridone compound
7K27 1.5 Å, Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR…
7K03 1.6 Å, Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ATR…
7T36 1.65 Å, Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322
7JSP 1.7 Å, Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase…
7K3O 1.7 Å, Crystal structure of the unliganded second bromodomain (BD2) of human TAF1
7K42 1.7 Å, Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane
7LB2 1.7 Å, Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589
5MG2 1.75 Å, Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299…

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