6BQA: BRD9 bromodomain

BRD9 bromodomain in complex with 3-(6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide. Determined by X-ray diffraction at 1.03 Å resolution. Released 14 Nov 2018.

Method: X-ray diffraction
Resolution: 1.03 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,082
Mol. weight: 12.19 kDa
Ligands: 67C
Released: 14 Nov 2018

Explore 6BQA in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6BQA contains 6 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: 6 helices, 0 β-strands

Element	Residues	Length
α-helix	24-37	14
α-helix	48-50	3
α-helix	57-60	4
α-helix	67-75	9
α-helix	82-99	18
α-helix	105-122	18

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bromodomain-containing protein 9	A	protein	102	Homo sapiens	Q9H8M2 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6BQA_1 Bromodomain-containing protein 9 (chains A)
STPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYKS
VTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSK

Ligands and cofactors

ID	Name	Formula	Copies
67C	3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimet…	C20 H21 N3 O2	1

Primary citation

Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. Nittinger, E., Gibbons, P., Eigenbrot, C. et al. J Comput Aided Mol Des (2019) 33:307-330. DOI 10.1007/s10822-019-00187-y · PubMed

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

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
4YYI 1.5 Å, Crystal structure of BRD9 Bromodomain bound to an acetylated peptide

Browse structure collections

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