9X2V: GSK3beta

GSK3beta complexed with BiS-3. Determined by X-ray diffraction at 1.39 Å resolution. Released 31 Dec 2025.

Method: X-ray diffraction
Resolution: 1.39 Å
Organisms: Homo sapiens, synthetic construct
Chains: 2
Atoms: 3,259
Mol. weight: 43.04 kDa
Ligands: PG6
Released: 31 Dec 2025

Explore 9X2V in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9X2V contains 24 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: 24 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	38-44	7	1
β-strand	52-64	13	1
β-strand	69-75	7	1
β-strand	81-88	8	1
α-helix	89-90	2
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	152-154	3
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
β-strand	205-206	2	3
α-helix	225-228	4
α-helix	237-252	16
α-helix	262-273	12
α-helix	276-277	2
α-helix	278-284	7
α-helix	297-300	4
α-helix	301-303	3
α-helix	306	1
α-helix	311-318	8
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: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	7	1	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glycogen synthase kinase-3 beta	A	protein	359	Homo sapiens	P49841 (AlphaFold model)
BiS-3	B	protein	15	synthetic construct

Sequence of entity 1 (A), FASTA

>9X2V_1 Glycogen synthase kinase-3 beta (chains A)
GPKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAI
KKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVAR
HYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSA
KQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVD
QLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYT
PTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Sequence of entity 2 (B), FASTA

>9X2V_2 BiS-3 (chains B)
XYRGSFRFFESRFCX

Ligands and cofactors

ID	Name	Formula	Copies
PG6	1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane	C12 H26 O6	1

Water and common crystallization additives (CL) are not listed.

Primary citation

Discovery of Supra-Bivalent GSK3 beta Inhibitory Peptides Containing an ATP-Mimetic Amino Acid. Haslbock, S., Vinogradov, A.A., Okada, C. et al. J Am Chem Soc (2026) 148:368-378. DOI 10.1021/jacs.5c13788 · PubMed

Other PDB entries of the same protein (UniProt P49841 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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…
7SXJ 1.85 Å, BIO-2895 (BRD0705) bound GSK3beta-axin complex
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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