MolNFT v1 · #152701 · protein
Crystal structure of dopamine receptor D4 bound to the subtype- selective ligand, L745870
6IQL · D(4) dopamine RECEPTOR,SOLUBLE cytochrome B562,D(4)…: “Crystal structure of dopamine receptor D4 bound to the subtype- selective ligand, L745870”. X-ray diffraction, 1 ligand (L74), 10 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 6IQL
- Type
- protein
- Length
- 681 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D(4) dopamine RECEPTOR,SOLUBLE cytochrome B562,D(4) dopamine receptor
- UniProt
- P51436, P0ABE7
- Ligands
- L74
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D(4) dopamine RECEPTOR,SOLUBLE cytochrome B562,D(4) dopamine receptor | protein | 341 | 78% helix, 0% strand | P51436, P0ABE7 |
| B | D(4) dopamine RECEPTOR,SOLUBLE cytochrome B562,D(4) dopamine receptor | protein | 340 | 82% helix, 0% strand | P51436, P0ABE7 |
Ligands and binding sites
- L74 · 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine · ligand · 2 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 415 | 0.77 | 0.86 | 40 | L74 |
| 2 | 693 | 0.74 | 0.79 | 52 | empty |
| 3 | 573 | 0.73 | 0.80 | 52 | L74 |
| 4 | 452 | 0.71 | 0.81 | 48 | empty |
| 5 | 619 | 0.67 | 0.75 | 68 | empty |
Interfaces
1 interface between chains.
- A–B · 750 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6IQL · Crystal structure of dopamine receptor D4 bound to the subtype-selective ligand, L745870 · the same entry in another collection · chain A against A, TM-score 1.00
- P51436 · AlphaFold monomer V2.0 prediction for D(4) dopamine receptor (P51436) · a predicted model of the same protein · chain A against A, TM-score 0.75
- P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.31
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 P51436
- Every structure of UniProt P0ABE7
- Elsewhere: RCSB PDB 6IQL · PDBe 6IQL · UniProt P51436 · UniProt P0ABE7
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