MolNFT v1 · #188547 · protein
Long form D7 protein from anopheles darlingi with U46619 and serotonin bound
7TX8 · Long form D7 salivary protein: “Long form D7 protein from anopheles darlingi with U46619 and serotonin bound”. X-ray diffraction, 2 ligands (SRO, PUC), 20 pockets (best druggability 0.72). MolNFT v1 #188547 on GenesisL1: 3D…
- PDB
- 7TX8
- Type
- protein
- Length
- 1,176 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long form D7 salivary protein
- UniProt
- B6DDQ8
- Ligands
- SRO, PUC
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 3 distinct chains · 63% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Long form D7 salivary protein | protein | 295 | 62% helix, 3% strand | B6DDQ8 |
| B, C | Long form D7 salivary protein | protein | 294 | 64% helix, 3% strand | B6DDQ8 |
| D | Long form D7 salivary protein | protein | 293 | 65% helix, 3% strand | B6DDQ8 |
Ligands and binding sites
- SRO · Serotonin · ligand · 4 copies · chains A, B, C, D
- PUC · (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 682 | 0.72 | 0.79 | 65 | empty |
| 2 | 363 | 0.69 | 0.82 | 38 | PUC |
| 3 | 351 | 0.69 | 0.82 | 35 | PUC |
| 4 | 348 | 0.68 | 0.82 | 38 | PUC |
| 5 | 91 | 0.67 | 0.91 | 23 | SRO |
Interfaces
5 interfaces between chains.
- B–C · 686 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 649 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 337 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 309 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 18 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 disulfide (disulfide).
Compared structures
- 7TX8 · Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound · 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 B6DDQ8
- Elsewhere: RCSB PDB 7TX8 · PDBe 7TX8 · UniProt B6DDQ8
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