MolNFT v1 · #145379 · protein
Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone
6CM4 · D(2) dopamine receptor, endolysin chimera: “Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone”. X-ray diffraction, 2 ligands (OLA, 8NU), 5 pockets (best druggability 0.69). MolNFT v1 #145379…
- PDB
- 6CM4
- Type
- protein
- Length
- 423 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D(2) dopamine receptor, endolysin chimera
- EC
- 3.2.1.17
- UniProt
- P14416, D9IEF7
- Ligands
- OLA, 8NU
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 77% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D(2) dopamine receptor, endolysin chimera (EC 3.2.1.17) | protein | 423 | 77% helix, 4% strand | P14416, D9IEF7 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 3 copies · chains A
- 8NU · 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.69 | 0.83 | 32 | 8NU |
| 2 | 247 | 0.55 | 0.77 | 33 | empty |
| 3 | 58 | 0.47 | 0.84 | 14 | OLA |
| 4 | 62 | 0.30 | 0.74 | 14 | PEG |
| 5 | 65 | 0.27 | 0.72 | 15 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6CM4 · Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone · 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 6CM4 · PDBe 6CM4 · UniProt P14416 · UniProt D9IEF7
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