5N20: BCL6 BTB domain

Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand. Determined by X-ray diffraction at 1.38 Å resolution. Released 17 May 2017.

Method: X-ray diffraction
Resolution: 1.38 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,112
Mol. weight: 14.68 kDa
Ligands: 8GN
Released: 17 May 2017

Explore 5N20 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5N20 contains 7 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: 7 helices, 3 β-strands

Element	Residues	Length	Sheet
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	102-111	10
α-helix	115-127	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
B-cell lymphoma 6 protein	A	protein	123	Homo sapiens	P41182 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5N20_1 B-cell lymphoma 6 protein (chains A)
DSQIQFTRHASDVLLNLNRLRSRDILTDVVIVVSREQFRAHKTVLMACSGLFYSIFTDQL
KRNLSVINLDPEINPEGFNILLDFMYTSRLNLREGNIMAVMATAMYLQMEHVVDTCRKFI
KAS

Ligands and cofactors

ID	Name	Formula	Copies
8GN	~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(…	C24 H29 N9 O	1

Primary citation

Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. McCoull, W., Abrams, R.D., Anderson, E. et al. J Med Chem (2017) 60:4386-4402. DOI 10.1021/acs.jmedchem.7b00359 · 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
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

Browse structure collections

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