Download MendeleyTernary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 78 (1124378)
Vickery, H.R., Virta, J.M., Pennings, M., Konstantinidou, M., van den Oetelaar, M., Neitz, R.J., Ottmann, C., Brunsveld, L., Arkin, M.R.To be published.
8VSM | pdb_00008vsm
Ternary structure of 14-3-3 sigma, ARAF phosphopeptide (pS214) and compound 78 (1124378)
- PDB DOI: https://doi.org/10.2210/pdb8VSM/pdb
- Classification: PEPTIDE BINDING PROTEIN
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-01-24 Released: 2025-03-19
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.213 (Depositor), 0.211 (DCC)
- R-Value Work: 0.186 (Depositor), 0.188 (DCC)
- R-Value Observed: 0.187 (Depositor)
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| 14-3-3 protein sigma | 236 | Homo sapiens | Mutation(s): 0 Gene Names: SFN, HME1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P31947 (Homo sapiens) Explore P31947 Go to UniProtKB: P31947 | |||||
PHAROS: P31947 GTEx: ENSG00000175793 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P31947 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Serine/threonine-protein kinase A-Raf phosphopeptide | B [auth P] | 12 | Homo sapiens | Mutation(s): 0 EC: 2.7.11.1 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P10398 (Homo sapiens) Explore P10398 Go to UniProtKB: P10398 | |||||
PHAROS: P10398 GTEx: ENSG00000078061 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P10398 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| WQN (Subject of Investigation/LOI) Query on WQN | G [auth A] | 1-[8-(4-bromophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone C14 H16 Br Cl N2 O4 S JYJPDISSKQJQGN-UHFFFAOYSA-N |  | ||
| CL Query on CL | C [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| MG Query on MG | D [auth A], E [auth A], F [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| SEP Query on SEP | B [auth P] | L-PEPTIDE LINKING | C3 H8 N O6 P |  | SER |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.50 ?
- R-Value Free: 0.213 (Depositor), 0.211 (DCC)
- R-Value Work: 0.186 (Depositor), 0.188 (DCC)
- R-Value Observed: 0.187 (Depositor)
Space Group: C 2 2 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 82.357 | ¦Á = 90 |
| b = 112.784 | ¦Â = 90 |
| c = 63.163 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PDB-REDO | refinement |
| autoPROC | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-03-19 Deposition Author(s): Vickery, H.R., Virta, J.M., Pennings, M., Konstantinidou, M., van den Oetelaar, M., Neitz, R.J., Ottmann, C., Brunsveld, L., Arkin, M.R.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | GM147696 |
Revision History (Full details and data files)
- Version 1.0: 2025-03-19
Type: Initial release
