MolNFT v1 · #143893 · protein
Complex of 14-3-3 theta with an IRSP53 peptide doubly-phosphorylated at T340 and S366
6BD2 · 14-3-3 protein theta: “Complex of 14-3-3 theta with an IRSP53 peptide doubly-phosphorylated at T340 and S366”. X-ray diffraction, 7 pockets (best druggability 0.62). MolNFT v1 #143893 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6BD2
- Type
- protein
- Length
- 476 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein theta; Insulin receptor substrate protein of 53 kda, peptide (IRSP53)
- UniProt
- P27348, Q9UQB8
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein theta | protein | 229 | 83% helix, 0% strand | P27348 |
| B | 14-3-3 protein theta | protein | 230 | 79% helix, 0% strand | P27348 |
| C | Insulin receptor substrate protein of 53 kda, peptide (IRSP53) | protein | 17 | 0% helix, 0% strand | Q9UQB8 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · chains A
- 1PE · Pentaethylene glycol · additive · chains A, B
- PG4 · Tetraethylene glycol · additive · chains B
- PGE · Triethylene glycol · additive · chains B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.62 | 0.85 | 23 | empty |
| 2 | 400 | 0.57 | 0.75 | 28 | empty |
| 3 | 210 | 0.56 | 0.79 | 27 | empty |
| 4 | 68 | 0.32 | 0.75 | 14 | empty |
| 5 | 61 | 0.32 | 0.76 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1099 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 749 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 613 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 6BD2 · Complex of 14-3-3 theta with an IRSp53 peptide doubly-phosphorylated at T340 and S366 · the same entry in another collection · chain A against A, TM-score 1.00
- P27348 · AlphaFold monomer V2.0 prediction for 14-3-3 protein theta (P27348) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q9UQB8 · AlphaFold monomer V2.0 prediction for brain-specific angiogenesis inhibitor 1-associated… · a predicted model of the same protein · chain C against A, TM-score 0.23
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 P27348
- Every structure of UniProt Q9UQB8
- Elsewhere: RCSB PDB 6BD2 · PDBe 6BD2 · UniProt P27348 · UniProt Q9UQB8
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