Research workbench
Neurotensin receptor and ARRESTIN2 complex
Analyse Neurotensin receptor and ARRESTIN2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UP7
- Type
- protein
- Length
- 685 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arg-arg-pro-tyr-ile-leu; Beta-arrestin-1; Neurotensin receptor type 1; Unidentified…
- UniProt
- P49407, P30989
- Ligands
- PIO
- Pockets
- 8 · best druggability 0.82
Structure
electron microscopy · 4 distinct chains · 37% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Arg-arg-pro-tyr-ile-leu | protein | 6 | 0% helix, 0% strand | — |
| B | Beta-arrestin-1 | protein | 348 | 3% helix, 27% strand | P49407 |
| R | Neurotensin receptor type 1 | protein | 322 | 75% helix, 1% strand | P30989 |
| V | Unidentified peptide | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · ligand · chains B, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1124 | 0.82 | 0.83 | 113 | empty |
| 2 | 877 | 0.80 | 0.83 | 117 | empty |
| 3 | 304 | 0.76 | 0.88 | 52 | empty |
| 4 | 262 | 0.74 | 0.87 | 44 | empty |
| 5 | 280 | 0.69 | 0.84 | 64 | empty |
Interfaces
3 interfaces between chains.
- B–R · 883 Ų buried · 7 hydrogen bonds · protein-protein
- C–R · 580 Ų buried · 3 hydrogen bonds · protein-protein
- B–V · 223 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6UP7 · neurotensin receptor and arrestin2 complex · the same entry in another collection · chain C against C, 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 0.96
- P49407 · AlphaFold monomer V2.0 prediction for beta-arrestin-1 (P49407) · a predicted model of the same protein · chain B against A, TM-score 0.90
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 P49407
- Every structure of UniProt P30989
- Elsewhere: RCSB PDB 6UP7 · PDBe 6UP7 · UniProt P49407 · UniProt P30989
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