MolNFT v1 · #176008 · protein
CRTC1 PSER151 peptide in complex with 14-3-3 zeta
7D8P · 14-3-3 protein ZETA/DELTA: “CRTC1 PSER151 peptide in complex with 14-3-3 zeta”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT v1 #176008 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7D8P
- Type
- protein
- Length
- 473 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 protein ZETA/DELTA; CRTC1 PSER151 peptide
- UniProt
- P63104, Q6UUV9
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 82% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 14-3-3 protein ZETA/DELTA | protein | 225 | 84% helix, 0% strand | P63104 |
| B | 14-3-3 protein ZETA/DELTA | protein | 229 | 83% helix, 0% strand | P63104 |
| C | CRTC1 PSER151 peptide | protein | 10 | 40% helix, 0% strand | Q6UUV9 |
| D | CRTC1 PSER151 peptide | protein | 9 | 33% helix, 0% strand | Q6UUV9 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.66 | 0.87 | 25 | empty |
| 2 | 248 | 0.60 | 0.80 | 27 | empty |
| 3 | 341 | 0.54 | 0.75 | 26 | empty |
| 4 | 58 | 0.33 | 0.77 | 14 | empty |
| 5 | 64 | 0.33 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1023 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 661 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 568 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7D8P · CRTC1 pSer151 peptide in complex with 14-3-3 zeta · the same entry in another collection · chain D against D, TM-score 1.00
- P63104 · AlphaFold monomer V2.0 prediction for 14-3-3 protein ZETA/DELTA (P63104) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q6UUV9 · AlphaFold monomer V2.0 prediction for creb-regulated transcription coactivator 1 (Q6UUV9) · a predicted model of the same protein · chain C against A, TM-score 0.39
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 P63104
- Every structure of UniProt Q6UUV9
- Elsewhere: RCSB PDB 7D8P · PDBe 7D8P · UniProt P63104 · UniProt Q6UUV9
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