7LWE: BCL6 BTB domain

Crystal structure of the BCL6 BTB domain in complex with OICR-7629. Determined by X-ray diffraction at 1.17 Å resolution. Released 9 Mar 2022.

Method: X-ray diffraction
Resolution: 1.17 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,257
Mol. weight: 15.32 kDa
Ligands: YND
Released: 9 Mar 2022

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

Secondary structure: helices and β-sheets

7LWE contains 8 α-helices and 3 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: 8 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	5-7	3
α-helix	9-10	2
α-helix	14-27	14
β-strand	34-38	5	1
β-strand	41-45	5	1
α-helix	47-53	7
α-helix	55-62	8
β-strand	71-73	3	1
α-helix	80-92	13
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	protein	129	Homo sapiens	P41182 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7LWE_1 B-cell lymphoma 6 protein (chains A)
MASPADSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSI
FTDQLKRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDT
CRKFIKASE

Ligands and cofactors

ID	Name	Formula	Copies
YND	N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimid…	C14 H12 Cl N5 O2	1

Water and common crystallization additives (ACT, CL, FMT) 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:

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
7LWG 1.3 Å, Crystal structure of the BCL6 BTB domain in complex with OICR-12694
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

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