MolNFT v1 · #188049 · protein
Human thyrotropin receptor bound by cs-17 inverse agonist FAB/ORG 274179-0 antagonist
7T9M · Cs-17 heavy chain: “Human thyrotropin receptor bound by cs-17 inverse agonist FAB/ORG 274179-0 antagonist”. Electron microscopy, 1 ligand (NAG), 13 pockets (best druggability 0.84). MolNFT v1 #188049 on GenesisL1: 3D structure…
- PDB
- 7T9M
- Type
- protein
- Length
- 995 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cs-17 heavy chain; Cs-17 light chain; Thyrotropin receptor
- UniProt
- A0A0A0MTJ0
- Ligands
- NAG
- Pockets
- 13 · best druggability 0.84
Structure
electron microscopy · 3 distinct chains · 27% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Cs-17 heavy chain | protein | 217 | 7% helix, 48% strand | — |
| L | Cs-17 light chain | protein | 213 | 7% helix, 46% strand | — |
| R | Thyrotropin receptor | protein | 565 | 42% helix, 12% strand | A0A0A0MTJ0 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains H, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.84 | 0.85 | 128 | empty |
| 2 | 464 | 0.71 | 0.81 | 48 | empty |
| 3 | 50 | 0.67 | 0.95 | 16 | empty |
| 4 | 95 | 0.57 | 0.86 | 24 | empty |
| 5 | 85 | 0.54 | 0.85 | 24 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1861 Ų buried · 16 hydrogen bonds · protein-protein
- H–R · 662 Ų buried · 17 hydrogen bonds · protein-protein
- L–R · 268 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 7T9M · Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist · the same entry in another collection · chain H against H, 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 A0A0A0MTJ0
- Elsewhere: RCSB PDB 7T9M · PDBe 7T9M · UniProt A0A0A0MTJ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.