Research workbench
Crystal structure of anopheles gambiae D7R4-tryptamine complex
Analyse Crystal structure of anopheles gambiae D7R4-tryptamine complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PQL
- Type
- protein
- Length
- 144 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D7R4 protein
- UniProt
- Q9BIH3
- Ligands
- TSS
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | D7R4 protein | protein | 144 | 65% helix, 1% strand | Q9BIH3 |
Ligands and binding sites
- TSS · 2-(1H-indol-3-yl)ethanamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.55 | 0.83 | 23 | TSS |
| 2 | 58 | 0.32 | 0.76 | 16 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2PQL · Crystal Structure of Anopheles gambiae D7R4-tryptamine complex · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9BIH3
- Elsewhere: RCSB PDB 2PQL · PDBe 2PQL · UniProt Q9BIH3
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