5JI8: BRD9 bromodomain and hit 1

Crystal structure of the BRD9 bromodomain and hit 1. Determined by X-ray diffraction at 1.42 Å resolution. Released 22 Jun 2016.

Method: X-ray diffraction
Resolution: 1.42 Å
Organism: Homo sapiens
Chains: 1
Atoms: 982
Mol. weight: 13.25 kDa
Ligands: 6KT
Released: 22 Jun 2016

Explore 5JI8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5JI8 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	140-153	14
α-helix	164-166	3
α-helix	173-176	4
α-helix	183-191	9
α-helix	198-215	18
α-helix	221-237	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bromodomain-containing protein 9	A	protein	111	Homo sapiens	Q9H8M2 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5JI8_1 Bromodomain-containing protein 9 (chains A)
ESTPIQQLLEHFLRQLQRKDPHGFFAFPVTDAIAPGYSMIIKHPMDFGTMKDKIVANEYK
SVTEFKADFKLMCDNAMTYNRPDTVYYKLAKKILHAGFKMMSKLEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
6KT	2-amino-1,3-benzothiazole-6-carboxamide	C8 H7 N3 O S	1

Primary citation

NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains. Wang, N., Li, F., Bao, H. et al. Chembiochem (2016) 17:1456-1463. DOI 10.1002/cbic.201600184 · 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
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

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