MolNFT v1 · #149661 · protein
14-3-3SIGMA in complex with a P129BETA3P mutated yap PS127 phosphopeptide
6G6X · 14-3-3 protein sigma: “14-3-3SIGMA in complex with a P129BETA3P mutated yap PS127 phosphopeptide”. X-ray diffraction, 3 ligands (EOE, NA, CL), 1 pocket (best druggability 0.59). MolNFT v1 #149661 on GenesisL1: 3D structure, binding…
- PDB
- 6G6X
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Transcriptional coactivator YAP1
- UniProt
- P31947, P46937
- Ligands
- EOE, NA, CL
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 236 | 80% helix, 0% strand | P31947 |
| P | Transcriptional coactivator YAP1 | protein | 8 | 0% helix, 0% strand | P46937 |
Ligands and binding sites
- EOE · Beta3-proline · ligand · chains A, P
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.59 | 0.80 | 30 | EOE |
Interfaces
1 interface between chains.
- A–P · 615 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 6G6X · 14-3-3sigma in complex with a P129beta3P mutated YAP pS127 phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
- P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95
- P46937 · AlphaFold monomer V2.0 prediction for transcriptional coactivator YAP1 (P46937) · a predicted model of the same protein · chain P against A, TM-score 0.48
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P31947
- Every structure of UniProt P46937
- Elsewhere: RCSB PDB 6G6X · PDBe 6G6X · UniProt P31947 · UniProt P46937
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