MolNFT v1 · #21844 · protein
Crystal structure of sea bream transthyretin in complex with triiodothyronine at 1.90A resolution
1SN5: “Crystal structure of sea bream transthyretin in complex with triiodothyronine at 1.90A resolution”. X-ray diffraction, 2 ligands (T3, SO4), 4 pockets (best druggability 0.65). MolNFT v1 #21844 on GenesisL1: 3D structure, binding…
- PDB
- 1SN5
- Type
- protein
- Length
- 463 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transthyretin
- UniProt
- Q9PTT3
- Ligands
- T3, SO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 4 distinct chains · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transthyretin | protein | 118 | 8% helix, 46% strand | Q9PTT3 |
| B | Transthyretin | protein | 116 | 7% helix, 51% strand | Q9PTT3 |
| C | Transthyretin | protein | 115 | 10% helix, 48% strand | Q9PTT3 |
| D | Transthyretin | protein | 114 | 10% helix, 48% strand | Q9PTT3 |
Ligands and binding sites
- T3 · 3,5,3'triiodothyronine · ligand · 2 copies · chains A, C, B, D
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.65 | 0.81 | 34 | T3 |
| 2 | 303 | 0.64 | 0.81 | 38 | T3 |
| 3 | 71 | 0.30 | 0.73 | 19 | empty |
| 4 | 56 | 0.26 | 0.73 | 15 | empty |
Interfaces
6 interfaces between chains.
- C–D · 941 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 910 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 604 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 390 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 354 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1SN5 · Crystal Structure of Sea Bream Transthyretin in complex with Triiodothyronine at 1.90A… · the same entry in another collection · 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 Q9PTT3
- Elsewhere: RCSB PDB 1SN5 · PDBe 1SN5 · UniProt Q9PTT3
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