› 6tch

X-ray diffraction
1.8Å resolution

Binary complex of 14-3-3 sigma and a high-affinity non-canonical 9-mer peptide binder

Released:
DOI: 10.2210/pdb6tch/pdb
PDB entry 6tch coloured by chain, front view.
PDB entry 6tch coloured by chain, side view.
PDB entry 6tch coloured by chain, top view.
Source organisms:
Primary publication:
Ultra-large chemical libraries for the discovery of high-affinity peptide binders.
Quartararo AJ, Gates ZP, Somsen BA, Hartrampf N, Ye X, Shimada A, Kajihara Y, Ottmann C, Pentelute BL
Nat Commun 11 3183 (2020)
PMID: 32576815

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152138 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: B
Molecule details ›
Chain: B
Length: 236 amino acids
Theoretical weight: 26.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
DLY-NVA-PPN-KCJ-SEP-PPN-B3S-BAL-PPN-LYS Chain: A
Molecule details ›
Chain: A
Length: 12 amino acids
Theoretical weight: 1.44 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand CL 1 x CL
5 modified residues:
Ligand DLY 1 x DLY
Ligand NVA 1 x NVA
Ligand PPN 3 x PPN
Ligand SEP 1 x SEP
Ligand B3S 1 x B3S

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-003
Spacegroup: C2221
Unit cell:
a: 82.475Å b: 112.282Å c: 62.758Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.148 0.184
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

8 review citations

Targeting the SARS-CoV-2-spike protein: from antibodies to miniproteins and peptides.
Pomplun S. (2020)
7 more

3 mentions without citation

Advances in Ultrahigh Throughput Hit Discovery with Tandem Mass Spectrometry Encoded Libraries.
Mata et al. (2023)
2 more