MolNFT v1 · #9915 · protein
Crystal structure of the 14-3-3 ZETA:SEROTONIN N-acetyltransferase complex
1IB1 · 14-3-3 zeta isoform: “Crystal structure of the 14-3-3 ZETA:SEROTONIN N-acetyltransferase complex”. X-ray diffraction, 1 ligand (COT), 20 pockets (best druggability 0.82). MolNFT v1 #9915 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1IB1
- Type
- protein
- Length
- 1,624 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 14-3-3 zeta isoform; Serotonin N-acetyltransferase
- EC
- 2.3.1.87
- UniProt
- P63104, Q29495
- Ligands
- COT
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 14-3-3 zeta isoform | protein | 227 | 79% helix, 0% strand | P63104 |
| E, F, G, H | Serotonin N-acetyltransferase (EC 2.3.1.87) | protein | 179 | 35% helix, 26% strand | Q29495 |
Ligands and binding sites
- COT · Coa-S-acetyl tryptamine · ligand · 4 copies · chains E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 886 | 0.82 | 0.84 | 89 | COT |
| 2 | 1131 | 0.80 | 0.81 | 91 | COT |
| 3 | 792 | 0.78 | 0.82 | 74 | COT |
| 4 | 1046 | 0.78 | 0.80 | 99 | empty |
| 5 | 269 | 0.70 | 0.85 | 45 | empty |
Interfaces
15 interfaces between chains.
- C–G · 1491 Ų buried · 26 hydrogen bonds · protein-protein
- B–F · 1475 Ų buried · 24 hydrogen bonds · protein-protein
- A–E · 1464 Ų buried · 25 hydrogen bonds · protein-protein
- D–H · 1459 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1076 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 1IB1 · Crystal structure of the 14-3-3 ZETA:SEROTONIN N-acetyltransferase complex · the same entry in another collection · chain H against H, 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 B 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 P63104
- Every structure of UniProt Q29495
- Elsewhere: RCSB PDB 1IB1 · PDBe 1IB1 · UniProt P63104 · UniProt Q29495
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