MolNFT v1 · #185853 · protein
SARS-cov-2 nucleocapsid phosphopeptide 201-210 bound to human 14-3-3 sigma
7QIP · 14-3-3 protein sigma: “SARS-cov-2 nucleocapsid phosphopeptide 201-210 bound to human 14-3-3 sigma”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.56). MolNFT v1 #185853 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7QIP
- Type
- protein
- Length
- 472 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; Arg-gly-tpo-ser-pro-ala-arg-met
- UniProt
- P31947
- Ligands
- CL
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 226 | 81% helix, 0% strand | P31947 |
| B | 14-3-3 protein sigma | protein | 229 | 83% helix, 0% strand | P31947 |
| C | Arg-gly-tpo-ser-pro-ala-arg-met | protein | 8 | 0% helix, 0% strand | — |
| D | Arg-gly-tpo-ser-pro-ala-arg-met | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, C, B, D
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 | 338 | 0.56 | 0.75 | 28 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1009 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 754 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 741 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7QIP · SARS-CoV-2 Nucleocapsid phosphopeptide 201-210 bound to human 14-3-3 sigma · 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 0.97
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
- Elsewhere: RCSB PDB 7QIP · PDBe 7QIP · UniProt P31947
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