1Q5K: Glycogen synthase kinase 3 in

crystal structure of Glycogen synthase kinase 3 in complexed with inhibitor. Determined by X-ray diffraction at 1.94 Å resolution. Released 10 Aug 2004.

Method: X-ray diffraction
Resolution: 1.94 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,930
Mol. weight: 92.85 kDa
Ligands: TMU
Released: 10 Aug 2004

Explore 1Q5K in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1Q5K contains 39 α-helices and 24 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: 20 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	38-44	7	1
β-strand	52-65	14	1
β-strand	68-75	8	1
β-strand	81-88	8	1
α-helix	96-103	8
β-strand	109	1	2
β-strand	112-118	7	1
β-strand	127-133	7	1
β-strand	137-138	2	2
α-helix	139-148	10
α-helix	155-173	19
β-strand	177-178	2	3
α-helix	184-186	3
β-strand	187-189	3	2
β-strand	196-198	3	2
β-strand	205-206	2	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	297-299	3
α-helix	301-303	3
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

Chain B: 19 helices, 12 β-strands

Element	Residues	Length	Sheet
β-strand	38-44	7	4
β-strand	52-63	12	4
β-strand	69-75	7	4
β-strand	81-88	8	4
α-helix	96-101	6
β-strand	109	1	5
β-strand	112-118	7	4
β-strand	127-133	7	4
β-strand	137-138	2	5
α-helix	139-148	10
α-helix	155-174	20
β-strand	177-178	2	6
α-helix	184-186	3
β-strand	187-189	3	5
β-strand	196-198	3	5
β-strand	205-206	2	6
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	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	354-357	4
α-helix	364-367	4
α-helix	371-373	3
α-helix	374-377	4
α-helix	380-383	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glycogen synthase kinase-3 beta	A, B	protein	414	Homo sapiens	P49841 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1Q5K_1 Glycogen synthase kinase-3 beta (chains A, B)
TTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGS
FGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEV
YLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQN
LLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCV
LAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFR
PRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQE
LSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST

Ligands and cofactors

ID	Name	Formula	Copies
TMU	N-(4-methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-yl)urea	C12 H12 N4 O4 S	2

Primary citation

Structural insights and biological effects of glycogen synthase kinase 3-specific inhibitor AR-A014418. Bhat, R., Xue, Y., Berg, S. et al. J Biol Chem (2003) 278:45937-45945. DOI 10.1074/jbc.M306268200 · 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…
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-…
9X2Y 1.96 Å, GSK3beta complexed with BiS-8

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