MolNFT v1 · #111154 · protein
Structural mechanism of hormone release in thyroxine binding globulin
4YIA · Thyroxine-binding globulin: “Structural mechanism of hormone release in thyroxine binding globulin”. X-ray diffraction, 4 ligands (IMN, CA, NA), 3 pockets (best druggability 0.66). MolNFT v1 #111154 on GenesisL1: 3D structure…
- PDB
- 4YIA
- Type
- protein
- Length
- 370 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thyroxine-binding globulin
- UniProt
- P05543
- Ligands
- IMN, CA, NA, CL
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thyroxine-binding globulin | protein | 337 | 34% helix, 38% strand | P05543 |
| B | Thyroxine-binding globulin | protein | 33 | 0% helix, 58% strand | P05543 |
Ligands and binding sites
- IMN · Indomethacin · ligand · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.66 | 0.86 | 21 | IMN |
| 2 | 80 | 0.43 | 0.80 | 16 | empty |
| 3 | 61 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2516 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4YIA · Structural mechanism of hormone release in thyroxine binding globulin · the same entry in another collection · chain A against A, TM-score 1.00
- P05543 · AlphaFold monomer V2.0 prediction for thyroxine-binding globulin (P05543) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P05543
- Elsewhere: RCSB PDB 4YIA · PDBe 4YIA · UniProt P05543
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.