4UIU: Bromodomain-containing protein 9

BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1- thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2-carboxamide. Determined by X-ray diffraction at 1.64 Å resolution. Released 22 Apr 2015.

Method: X-ray diffraction
Resolution: 1.64 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 1,106
Mol. weight: 12.7 kDa
Ligands: TVU
Released: 22 Apr 2015

Explore 4UIU in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4UIU contains 5 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: 5 helices, 0 β-strands

Element	Residues	Length
α-helix	24-37	14
α-helix	57-60	4
α-helix	67-75	9
α-helix	82-99	18
α-helix	105-121	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bromodomain-containing protein 9	A	protein	106	HOMO SAPIENS	Q9H8M2 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4UIU_1 BROMODOMAIN-CONTAINING PROTEIN 9 (chains A)
GAENESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVA
NEYKSVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMS

Ligands and cofactors

ID	Name	Formula	Copies
TVU	N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidany…	C22 H24 N2 O6 S2	1

Primary citation

The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. Theodoulou, N.H., Bamborough, P., Bannister, A.J. et al. J Med Chem (2016) 59:1425. DOI 10.1021/ACS.JMEDCHEM.5B00256 · PubMed

Other PDB entries of the same protein (UniProt Q9H8M2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6BQA 1.03 Å, BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]…
5I40 1.04 Å, BRD9 in complex with Cpd1 (6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
9ZU4 1.05 Å, Crystal structure of BRD9 bromodomain bound to BZ2
9ZU3 1.15 Å, Crystal structure of BRD9 bromodomain bound to BZ1
5I7X 1.18 Å, BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]py…
6Y7K 1.2 Å, Structure of the BRD9 bromodomain and compound 27
4UIT 1.3 Å, BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4-…
6V1B 1.35 Å, Crystal structure of the bromodomain of human BRD9 bound to I-BRD9
5JI8 1.42 Å, Crystal structure of the BRD9 bromodomain and hit 1
4YY6 1.45 Å, Crystal structure of BRD9 Bromodomain bound to a butyryllysine peptide
5I7Y 1.45 Å, BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]py…
4YY4 1.47 Å, Crystal structure of BRD9 Bromodomain bound to DMSO

Browse structure collections

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