MolNFT v1 · #188896 · protein
Cryoem structure of inactive NTSR1 bound to SR48692 and NB6
7UL2 · Neurotensin receptor 1: “Cryoem structure of inactive NTSR1 bound to SR48692 and NB6”. Electron microscopy, 2 ligands (Q6Q, NA), 4 pockets (best druggability 0.68). MolNFT v1 #188896 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7UL2
- Type
- protein
- Length
- 347 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurotensin receptor 1; Nanobody 6
- UniProt
- P30989, P41145
- Ligands
- Q6Q, NA
- Pockets
- 4 · best druggability 0.68
Structure
electron microscopy · 2 distinct chains · 69% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | Neurotensin receptor 1 | protein | 287 | 83% helix, 4% strand | P30989, P41145 |
| D | Nanobody 6 | protein | 60 | 0% helix, 47% strand | — |
Ligands and binding sites
- Q6Q · 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid · ligand · chains R
- NA · Sodium ion · metal · chains R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.68 | 0.78 | 46 | Q6Q |
| 2 | 113 | 0.47 | 0.80 | 26 | empty |
| 3 | 157 | 0.45 | 0.76 | 21 | empty |
| 4 | 77 | 0.36 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- R–D · 595 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7UL2 · CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6 · the same entry in another collection · chain R against R, TM-score 1.00
- P30989 · AlphaFold monomer V2.0 prediction for neurotensin receptor type 1 (P30989) · a predicted model of the same protein · chain R against A, TM-score 0.89
- P41145 · AlphaFold monomer V2.0 prediction for kappa-type opioid receptor (P41145) · a predicted model of the same protein · chain R against A, TM-score 0.89
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 P30989
- Every structure of UniProt P41145
- Elsewhere: RCSB PDB 7UL2 · PDBe 7UL2 · UniProt P30989 · UniProt P41145
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