7SXF: BIO-2895 (BRD0705) bound GSK3alpha-axin complex

BIO-2895 (BRD0705) bound GSK3alpha-axin complex. Determined by X-ray diffraction at 1.94 Å resolution. Released 14 Jun 2023.

Method
X-ray diffraction
Resolution
1.94 Å
Organism
Homo sapiens
Chains
2
Atoms
2,931
Mol. weight
41.66 kDa
Ligands
CA, 6VL
Released
14 Jun 2023

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

Secondary structure: helices and β-sheets

7SXF contains 26 α-helices and 13 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: 25 helices, 13 β-strands

ElementResiduesLengthSheet
β-strand102-10761
β-strand114-11851
β-strand120-12671
β-strand132-13761
β-strand144-15291
α-helix159-1668
β-strand17212
β-strand175-18281
β-strand189-19681
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-helix339-3402
α-helix341-3477
α-helix349-3513
α-helix359-3635
α-helix364-3663
α-helix3691
α-helix374-38310
α-helix388-3903
α-helix392-3932
α-helix394-3985
α-helix401-4033
α-helix404-4074
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 alphaAprotein345Homo sapiensP49840 (AlphaFold model)
Axin peptideBprotein17Homo sapiensO15169 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7SXF_1 Glycogen synthase kinase-3 alpha (chains A)
TTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRE
LQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILY
VKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYI
CSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPT
REQIREMNPNYTEFKFPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAH
SFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHR
Sequence of entity 2 (B), FASTA
>7SXF_2 Axin peptide (chains B)
LLPQKFAEELIHRLEAV

Ligands and cofactors

IDNameFormulaCopies
CACalcium ionCa1
6VL(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin…C20 H23 N3 O1

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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