8VSN: 14-3-3 protein sigma

Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 79 (1124379). Determined by X-ray diffraction at 1.91 Å resolution. Released 19 Mar 2025.

Method: X-ray diffraction
Resolution: 1.91 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,077
Mol. weight: 28.6 kDa
Ligands: WQT, MG
Released: 19 Mar 2025

Explore 8VSN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8VSN contains 14 α-helices and 0 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: 13 helices, 0 β-strands

Element	Residues	Length
α-helix	3-15	13
α-helix	19-31	13
α-helix	34-37	4
α-helix	38-69	32
α-helix	80-102	23
α-helix	103-107	5
α-helix	114-134	21
α-helix	138-161	24
α-helix	167-178	12
α-helix	179-183	5
α-helix	187-203	17
α-helix	205-207	3
α-helix	213-229	17

Chain P: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	256-258	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
14-3-3 protein sigma	A	protein	236	Homo sapiens	P31947 (AlphaFold model)
Serine/threonine-protein kinase A-Raf phosphopeptide	P	protein	12	Homo sapiens	P10398 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8VSN_1 14-3-3 protein sigma (chains A)
GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQ
RAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAE
SRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALN
FSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWT

Sequence of entity 2 (P), FASTA

>8VSN_2 Serine/threonine-protein kinase A-Raf phosphopeptide (chains P)
RIRSTSTPNVHM

Ligands and cofactors

ID	Name	Formula	Copies
WQT	2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]eth…	C14 H16 Cl I N2 O4 S	1
MG	Magnesium ion	Mg	3

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

Primary citation

Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 79 (1124379). Vickery, H.R., Virta, J.M., Pennings, M. et al. To be published.

Other PDB entries of the same protein (UniProt P31947 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3IQU 1.05 Å, Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer)
7AZ2 1.08 Å, 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014
6HMT 1.1 Å, Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to…
7BAA 1.1 Å, Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI
8BZC 1.1 Å, co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ244)
8BZW 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (844_AZ210)
8C04 1.1 Å, Co-soaked stabilizers for ERa - 14-3-3 interaction (884_AZ354)
9GG8 1.1 Å, Crystal structure of 14-3-3 sigma dC - C38N in complex with Tau pS214 peptide and…
8ANC 1.11 Å, 14-3-3 sigma sirtuin-3 phospho-peptide complex
6Y1J 1.13 Å, 14-3-3 sigma in complex with IkappaBalpha pS63 peptide
6G6X 1.13 Å, 14-3-3sigma in complex with a P129beta3P mutated YAP pS127 phosphopeptide
6NV2 1.13 Å, 14-3-3 sigma with RelA/p65 binding site pS45 in complex with DP005

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