Research workbench
Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands
Analyse Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LUQ
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chimera of D(2) dopamine receptor and endolysin
- EC
- 3.2.1.17
- UniProt
- P14416, D9IEF7
- Ligands
- OLA, GMJ
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 77% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chimera of D(2) dopamine receptor and endolysin (EC 3.2.1.17) | protein | 421 | 77% helix, 4% strand | P14416, D9IEF7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 4 copies · chains A
- GMJ · 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.69 | 0.84 | 28 | GMJ |
| 2 | 60 | 0.48 | 0.84 | 15 | OLA |
| 3 | 198 | 0.47 | 0.75 | 22 | empty |
| 4 | 87 | 0.44 | 0.80 | 14 | empty |
| 5 | 60 | 0.34 | 0.77 | 23 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6LUQ · Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective… · the same entry in another collection · chain A against A, TM-score 1.00
- P14416 · AlphaFold monomer V2.0 prediction for D(2) dopamine receptor (P14416) · a predicted model of the same protein · chain A against A, TM-score 0.64
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 P14416
- Every structure of UniProt D9IEF7
- Elsewhere: RCSB PDB 6LUQ · PDBe 6LUQ · UniProt P14416 · UniProt D9IEF7
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