MolNFT v1 · #183229 · protein
14-3-3 sigma with AS160 binding site PT642
7NIX · 14-3-3 protein sigma: “14-3-3 sigma with AS160 binding site PT642”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.54). MolNFT v1 #183229 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7NIX
- Type
- protein
- Length
- 242 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein sigma; TBC1 domain family member 4
- UniProt
- P31947, O60343
- Ligands
- MG
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein sigma | protein | 231 | 84% helix, 0% strand | P31947 |
| B | TBC1 domain family member 4 | protein | 11 | 0% helix, 0% strand | O60343 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 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 | 110 | 0.54 | 0.83 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 839 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 7NIX · 14-3-3 sigma with AS160 binding site pT642 · 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 0.96
- O60343 · AlphaFold monomer V2.0 prediction for TBC1 domain family member 4 (O60343) · a predicted model of the same protein · chain B against A, TM-score 0.33
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 O60343
- Elsewhere: RCSB PDB 7NIX · PDBe 7NIX · UniProt P31947 · UniProt O60343
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