7ORG: 14-3-3 protein sigma

Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ162. Determined by X-ray diffraction at 1.8 Å resolution. Released 22 Jun 2022.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,251
Mol. weight: 30.59 kDa
Ligands: MG, 09W
Released: 22 Jun 2022

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

Secondary structure: helices and β-sheets

7ORG contains 13 α-helices and 0 β-strands across 1 chain. 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	35-37	3
α-helix	38-68	31
α-helix	80-102	23
α-helix	103-107	5
α-helix	114-134	21
α-helix	140-161	22
α-helix	167-178	12
α-helix	179-183	5
α-helix	187-202	16
α-helix	205-207	3
α-helix	210-230	21

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
14-3-3 protein sigma	A	protein	253	Homo sapiens	P31947 (AlphaFold model)
Cyclin-dependent kinase inhibitor 1B	P	protein	12	Homo sapiens	P46527 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7ORG_1 14-3-3 protein sigma (chains A)
GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQ
RAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAE
SRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALN
FSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWTADNA
GEEGGEAPQEPQS

Sequence of entity 2 (P), FASTA

>7ORG_2 Cyclin-dependent kinase inhibitor 1B (chains P)
TPKKPGLRRRQT

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	2
09W	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-…	C21 H19 N3 O2 S	2

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

Primary citation

A crystallography-based study of fragment extensions into the 14-3-3 binding groove. Centorrino, F., Wu, Q., Cossar, P. 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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