7LWG: BCL6 BTB domain

Crystal structure of the BCL6 BTB domain in complex with OICR-12694. Determined by X-ray diffraction at 1.3 Å resolution. Released 9 Mar 2022.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,361
Mol. weight: 30.38 kDa
Ligands: YN7
Released: 9 Mar 2022

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

Secondary structure: helices and β-sheets

7LWG contains 14 α-helices and 10 β-strands across 2 chains. 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: 8 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	8	1
β-strand	9-10	2	1
α-helix	14-27	14
β-strand	34-38	5	2
β-strand	41-45	5	2
α-helix	47-53	7
α-helix	55-61	7
β-strand	71-73	3	2
α-helix	74-75	2
α-helix	80-92	13
β-strand	94-95	2	3
α-helix	102-112	11
α-helix	115-127	13

Chain B: 6 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	9-10	2	3
α-helix	14-27	14
β-strand	34-38	5	4
β-strand	41-45	5	4
α-helix	47-53	7
α-helix	55-62	8
β-strand	71-73	3	4
α-helix	80-92	13
β-strand	94-95	2	1
α-helix	102-112	11
α-helix	115-127	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
B-cell lymphoma 6 protein	A, B	protein	125	Homo sapiens	P41182 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7LWG_1 B-cell lymphoma 6 protein (chains A, B)
ADSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQ
LKRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKF
IKASE

Ligands and cofactors

ID	Name	Formula	Copies
YN7	5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-y…	C29 H28 Cl F3 N8 O4	2

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

Primary citation

Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. Mamai, A., Chau, A.M., Wilson, B.J. et al. ACS Med Chem Lett (2023) 14:199-210. DOI 10.1021/acsmedchemlett.2c00502 · PubMed

Other PDB entries of the same protein (UniProt P41182 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7LWE 1.17 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-7629
7RV1 1.17 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-8826
7OKL 1.2 Å, Crystal structure of human BCL6 BTB domain in complex with compound 13e
7LWF 1.22 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-9320
7RV4 1.25 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-9153
7RV8 1.25 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-10268
7RUY 1.27 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-8388
7RV2 1.29 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-8828
1R29 1.3 Å, Crystal Structure of the B-Cell Lymphoma 6 (BCL6) BTB Domain to 1.3 Angstrom
7RUW 1.3 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-7859
7RUX 1.3 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-8311
7OKG 1.32 Å, Crystal structure of human BCL6 BTB domain in complex with compound 8e

Browse structure collections

About this viewer

MolViewer shows 7LWG directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.