7SXJ: BIO-2895 (BRD0705) bound GSK3beta-axin complex

BIO-2895 (BRD0705) bound GSK3beta-axin complex. Determined by X-ray diffraction at 1.85 Å resolution. Released 14 Jun 2023.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,082
Mol. weight: 42.25 kDa
Ligands: 6VL
Released: 14 Jun 2023

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

Secondary structure: helices and β-sheets

7SXJ contains 24 α-helices and 12 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: 23 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	38-44	7	1
β-strand	52-61	10	1
β-strand	69-75	7	1
β-strand	81-88	8	1
α-helix	96-101	6
β-strand	109	1	2
β-strand	112-119	8	1
β-strand	126-133	8	1
β-strand	137-138	2	2
α-helix	139-148	10
α-helix	155-174	20
β-strand	177-178	2	3
α-helix	184-186	3
β-strand	187-190	4	2
β-strand	195-198	4	2
α-helix	201-203	3
β-strand	205-206	2	3
α-helix	220-222	3
α-helix	225-228	4
α-helix	237-252	16
α-helix	262-273	12
α-helix	275-277	3
α-helix	278-284	7
α-helix	297-300	4
α-helix	301-304	4
α-helix	311-320	10
α-helix	325-327	3
α-helix	329-330	2
α-helix	331-335	5
α-helix	338-344	7
α-helix	354-356	3
α-helix	364-367	4
α-helix	371-373	3
α-helix	374-377	4
α-helix	380-382	3

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	385-397	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glycogen synthase kinase-3 beta	A	protein	351	Homo sapiens	P49841 (AlphaFold model)
axin peptide	B	protein	17	Homo sapiens	O15169 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7SXJ_1 Glycogen synthase kinase-3 beta (chains A)
GGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKR
FKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQT
LPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEP
NVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKV
LGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPL
EACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Sequence of entity 2 (B), FASTA

>7SXJ_2 axin peptide (chains B)
EPQKFAEELIHRLEAVQ

Ligands and cofactors

ID	Name	Formula	Copies
6VL	(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin…	C20 H23 N3 O	1

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 P49841 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9X2V 1.39 Å, GSK3beta complexed with BiS-3
1O6L 1.6 Å, Crystal structure of an activated Akt/protein kinase B (PKB-PIF chimera) ternary complex…
9X2Q 1.68 Å, GSK3beta complexed with BiS-1
1O6K 1.7 Å, Structure of activated form of PKB kinase domain S474D with GSK3 peptide and AMP-PNP
9X2X 1.79 Å, GSK3beta complexed with BiS-5
1J1B 1.8 Å, Binary complex structure of human tau protein kinase I with AMPPNP
2JDO 1.8 Å, Structure of pkb-beta (AKT2) complexed with isoquinoline-5-sulfonic acid…
3QKL 1.9 Å, Spirochromane Akt Inhibitors
9X2W 1.92 Å, GSK3beta complexed with BiS-4
2X39 1.93 Å, Structure of 4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-…
1Q5K 1.94 Å, crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor
9X2Y 1.96 Å, GSK3beta complexed with BiS-8

Browse structure collections

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