MolNFT v1 · #188632 · protein
Crystal structure of the anopheles darlingi ad-118 long form D7 salivary protein
7U1N: “Crystal structure of the anopheles darlingi ad-118 long form D7 salivary protein”. X-ray diffraction, 2 ligands (ETX, SO4), 9 pockets (best druggability 0.68). MolNFT v1 #188632 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7U1N
- Type
- protein
- Length
- 589 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Long form D7 salivary protein
- UniProt
- B6DDQ8
- Ligands
- ETX, SO4
- Pockets
- 9 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Long form D7 salivary protein | protein | 295 | 63% helix, 3% strand | B6DDQ8 |
| B | Long form D7 salivary protein | protein | 294 | 62% helix, 3% strand | B6DDQ8 |
Ligands and binding sites
- ETX · 2-ethoxyethanol · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 289 | 0.68 | 0.83 | 39 | PG0 |
| 2 | 707 | 0.66 | 0.74 | 69 | ETX, GOL |
| 3 | 247 | 0.65 | 0.82 | 36 | PEG |
| 4 | 103 | 0.62 | 0.88 | 21 | empty |
| 5 | 80 | 0.61 | 0.89 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 471 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 7U1N · Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein · 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 7U1N · PDBe 7U1N · UniProt B6DDQ8
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