MolNFT v1 · #109834 · protein
Structure of active-like neurotensin receptor
4XEE · Neurotensin receptor type 1, endolysin chimera: “Structure of active-like neurotensin receptor”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #109834 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4XEE
- Type
- protein
- Length
- 470 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neurotensin receptor type 1, endolysin chimera; NEUROTENSIN/NEUROMEDIN N
- EC
- 3.2.1.17
- UniProt
- P20789, P00720, P20068
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neurotensin receptor type 1, endolysin chimera (EC 3.2.1.17) | protein | 464 | 71% helix, 5% strand | P20789, P00720 |
| B | NEUROTENSIN/NEUROMEDIN N | protein | 6 | 0% helix, 0% strand | P20068 |
Ligands and binding sites
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- FLC · Citrate anion · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 641 | 0.69 | 0.77 | 72 | empty |
| 2 | 227 | 0.50 | 0.75 | 28 | EPE |
| 3 | 66 | 0.38 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 804 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4XEE · Structure of active-like neurotensin receptor · the same entry in another collection · chain A against A, 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 0.65
- P20068 · AlphaFold monomer V2.0 prediction for NEUROTENSIN/NEUROMEDIN N (P20068) · a predicted model of the same protein · chain B against A, TM-score 0.46
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 P00720
- Every structure of UniProt P20068
- Elsewhere: RCSB PDB 4XEE · PDBe 4XEE · UniProt P20789 · UniProt P00720 · UniProt P20068
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