MolNFT v1 · #80335 · protein
Crystal structures of polyamine receptors spud and spue from pseudomonas aeruginosa
3TTN · Polyamine transport protein: “Crystal structures of polyamine receptors spud and spue from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (SPD), 7 pockets (best druggability 0.82). MolNFT v1 #80335 on GenesisL1: 3D structure…
- PDB
- 3TTN
- Type
- protein
- Length
- 665 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyamine transport protein
- UniProt
- Q9I6J0
- Ligands
- SPD
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyamine transport protein | protein | 335 | 50% helix, 17% strand | Q9I6J0 |
| B | Polyamine transport protein | protein | 330 | 49% helix, 17% strand | Q9I6J0 |
Ligands and binding sites
- SPD · Spermidine · ligand · 2 copies · chains A, 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1134 | 0.82 | 0.83 | 101 | empty |
| 2 | 109 | 0.44 | 0.78 | 19 | empty |
| 3 | 114 | 0.43 | 0.77 | 20 | empty |
| 4 | 115 | 0.41 | 0.75 | 17 | empty |
| 5 | 108 | 0.39 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1063 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3TTN · Crystal structures of polyamine receptors SpuD and SpuE from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I6J0 · AlphaFold monomer V2.0 prediction for spermidine-binding periplasmic protein spue (Q9I6J0) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q9I6J0
- Elsewhere: RCSB PDB 3TTN · PDBe 3TTN · UniProt Q9I6J0
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