7AFW: Beta-Catenin

Beta-Catenin in complex with compound 6. Determined by X-ray diffraction at 1.81 Å resolution. Released 16 Dec 2020.

Method: X-ray diffraction
Resolution: 1.81 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,314
Mol. weight: 18.45 kDa
Ligands: R9Q
Released: 16 Dec 2020

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

Secondary structure: helices and β-sheets

7AFW contains 12 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: 12 helices, 0 β-strands

Element	Residues	Length
α-helix	145-160	16
α-helix	165-179	15
α-helix	182-189	8
α-helix	192-204	13
α-helix	208-221	14
α-helix	225-233	9
α-helix	236-243	8
α-helix	249-265	17
α-helix	269-275	7
α-helix	278-284	7
α-helix	285-287	3
α-helix	291-303	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Catenin beta-1	A	protein	167	Homo sapiens	P35222 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7AFW_1 Catenin beta-1 (chains A)
GSNYQDDAELATRAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAI
VRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITT
LHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILA

Ligands and cofactors

ID	Name	Formula	Copies
R9Q	3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzeneca…	C17 H14 N2 O2	1

Primary citation

Getting a Grip on the Undrugged: Targeting beta-Catenin with Fragment-Based Methods. Kessler, D., Mayer, M., Zahn, S.K. et al. ChemMedChem (2021) 16:1420-1424. DOI 10.1002/cmdc.202000839 · PubMed

Other PDB entries of the same protein (UniProt P35222 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3FQN 1.65 Å, Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted…
3FQR 1.7 Å, Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted…
1JDH 1.9 Å, Crystal structure of beta-catenin and htcf-4
9I8K 2.0 Å, Beta-catenin armadillo (150-663)
9I8X 2.0 Å, Beta-catenin armadillo with cyclic peptide and Compound 2
8RU3 2.0 Å, Crystal structure of beta-catenin in complex with alpha-helical peptide inhibitor
6M90 2.05 Å, Monophosphorylated pSer33 b-Catenin peptide, b-TrCP/Skp1, NRX-2776 ternary complex
29KL 2.09 Å, Crystal structure of Human Catenin Beta-1 in complex with cyclic beta sheet peptide…
1G3J 2.1 Å, Crystal structure of the XTCF3-cbd/beta-catenin armadillo repeat complex
1T08 2.1 Å, Crystal structure of beta-catenin/ICAT helical domain/unphosphorylated APC R3
3DIW 2.1 Å, c-terminal beta-catenin bound TIP-1 structure
8RU4 2.13 Å, Crystal structure of Human Catenin Beta-1 in complex with stitched peptide inhibitor

Browse structure collections

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