4NU1: Transition state mimic of the GSK-3/Axin complex

Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide. Determined by X-ray diffraction at 2.5 Å resolution. Released 26 Mar 2014.

Method: X-ray diffraction
Resolution: 2.5 Å
Organisms: Mus musculus, Homo sapiens
Chains: 2
Atoms: 3,158
Mol. weight: 47.8 kDa
Ligands: AF3, ADP, MG
Released: 26 Mar 2014

Explore 4NU1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NU1 contains 24 α-helices and 17 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, 17 β-strands

Element	Residues	Length	Sheet
β-strand	10	1	1
β-strand	27-28	2	2
β-strand	38-44	7	2
β-strand	52-64	13	2
β-strand	68-75	8	2
β-strand	81-88	8	2
β-strand	93	1	1
α-helix	97-101	5
β-strand	109	1	3
β-strand	112-118	7	2
β-strand	127-133	7	2
β-strand	137-138	2	3
α-helix	139-148	10
α-helix	155-173	19
β-strand	177-178	2	4
α-helix	184-186	3
β-strand	187-190	4	3
β-strand	195-198	4	3
β-strand	205-206	2	4
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	286-288	3
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	338-340	3
α-helix	341-344	4
β-strand	349	1	5
α-helix	354	1
β-strand	355	1	5
α-helix	356	1
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	385-400	16

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Glycogen synthase kinase-3 beta	A	protein	389	Mus musculus	Q9WV60 (AlphaFold model)
Axin-1	B	protein	24	Homo sapiens	O15169 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4NU1_1 Glycogen synthase kinase-3 beta (chains A)
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARHHHHHH

Sequence of entity 2 (B), FASTA

>4NU1_2 Axin-1 (chains B)
GGILVEPQKFAEELIHRLEAVQRT

Ligands and cofactors

ID	Name	Formula	Copies
AF3	Aluminum fluoride	Al F3	1
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	1
MG	Magnesium ion	Mg	2

Water and common crystallization additives (NO3, GOL) are not listed.

Primary citation

Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Stamos, J.L., Chu, M.L., Enos, M.D. et al. Elife (2014) 3:e01998-e01998. PubMed

Other PDB entries of the same protein (UniProt Q9WV60 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6AE3 2.14 Å, Crystal structure of GSK3beta complexed with Morin
8VME 2.3 Å, Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A…
8VMG 2.45 Å, Crystal structure of GSK-3 26-383 bound to Axin 383-435
8VMF 2.5 Å, Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a…
5AIR 2.53 Å, Structural analysis of mouse GSK3beta fused with LRP6 peptide.

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