Research workbench
High resolution structure of thermostable agonist-bound neurotensin receptor 1 mutant without lysozyme fusion
Analyse High resolution structure of thermostable agonist-bound neurotensin receptor 1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BUO
- Type
- protein
- Length
- 630 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurotensin receptor type 1; NEUROTENSIN/NEUROMEDIN N
- UniProt
- P20789, P20068
- Ligands
- GLY
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neurotensin receptor type 1 | protein | 304 | 81% helix, 3% strand | P20789 |
| B | Neurotensin receptor type 1 | protein | 314 | 77% helix, 3% strand | P20789 |
| C, D | NEUROTENSIN/NEUROMEDIN N | protein | 6 | 0% helix, 0% strand | P20068 |
Ligands and binding sites
- GLY · Glycine · ligand · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.81 | 0.98 | 18 | empty |
| 2 | 356 | 0.75 | 0.86 | 34 | GLY |
| 3 | 350 | 0.75 | 0.86 | 34 | empty |
| 4 | 187 | 0.54 | 0.78 | 25 | GLY |
| 5 | 167 | 0.49 | 0.77 | 24 | GLY |
Interfaces
3 interfaces between chains.
- A–B · 1404 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 822 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 821 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4BUO · High Resolution Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant… · the same entry in another collection · chain D against D, TM-score 1.00
- P20789 · AlphaFold monomer V2.0 prediction for neurotensin receptor type 1 (P20789) · a predicted model of the same protein · chain A against A, TM-score 0.94
- P20068 · AlphaFold monomer V2.0 prediction for NEUROTENSIN/NEUROMEDIN N (P20068) · a predicted model of the same protein · chain D against A, TM-score 0.53
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 P20789
- Every structure of UniProt P20068
- Elsewhere: RCSB PDB 4BUO · PDBe 4BUO · UniProt P20789 · UniProt P20068
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