7SXG: BIO-8546 bound GSK3alpha-axin complex

BIO-8546 bound GSK3alpha-axin complex. Determined by X-ray diffraction at 2.4 Å resolution. Released 14 Jun 2023.

Method
X-ray diffraction
Resolution
2.4 Å
Organism
Homo sapiens
Chains
2
Atoms
2,783
Mol. weight
41.65 kDa
Ligands
D1E
Released
14 Jun 2023

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

Secondary structure: helices and β-sheets

7SXG contains 25 α-helices and 14 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: 24 helices, 14 β-strands

ElementResiduesLengthSheet
β-strand106-10721
β-strand120-12671
β-strand132-13761
β-strand144-15181
α-helix159-1668
β-strand17212
β-strand175-18171
β-strand190-19671
β-strand200-20122
α-helix202-21110
α-helix215-2173
α-helix218-23720
β-strand24113
α-helix247-2493
β-strand250-25232
β-strand259-26132
α-helix264-2663
β-strand26813
α-helix283-2853
α-helix288-2914
α-helix300-31516
α-helix325-33612
α-helix338-3403
α-helix341-3477
α-helix349-3513
α-helix359-3635
α-helix364-3674
α-helix374-38310
α-helix388-3903
α-helix392-3932
α-helix394-3985
α-helix401-4033
β-strand41314
β-strand41714
α-helix418-4203
α-helix429-4313
α-helix434-4363
α-helix437-4404
Chain B: 1 helix, 0 β-strands
ElementResiduesLengthSheet
α-helix385-39713

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Glycogen synthase kinase-3 alphaAprotein343Homo sapiensP49840 (AlphaFold model)
Axin peptideBprotein18Homo sapiensO15169 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7SXG_1 Glycogen synthase kinase-3 alpha (chains A)
VVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQ
IMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVK
VYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICS
RYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTRE
QIREMNPNYTEFKFPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSF
FDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHL
Sequence of entity 2 (B), FASTA
>7SXG_2 Axin peptide (chains B)
LLPQKFAEELIHRLEAVQ

Ligands and cofactors

IDNameFormulaCopies
D1E(4S,5R,8R)-4-ethyl-8-fluoro-4-[3-(3-fluoro-5-methoxypyridin-4-yl)phenyl]-7,7-di…C26 H28 F2 N4 O21

Primary citation

Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors. Amaral, B., Capacci, A., Anderson, T. et al. ACS Chem Neurosci (2023) 14:1080-1094. DOI 10.1021/acschemneuro.2c00476 · PubMed

Other PDB entries of the same protein (UniProt P49840 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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