MolNFT v1 · #169694 · protein
Structure of a mosquito complement inhibitor from anopheles albimanus
6XKE · Albicin: “Structure of a mosquito complement inhibitor from anopheles albimanus”. X-ray diffraction, 1 ligand (BR), 5 pockets (best druggability 0.72). MolNFT v1 #169694 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XKE
- Type
- protein
- Length
- 348 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Albicin
- UniProt
- A0A1Y9G8D0
- Ligands
- BR
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Albicin | protein | 116 | 72% helix, 2% strand | A0A1Y9G8D0 |
Ligands and binding sites
- BR · Bromide ion · ion · 8 copies · chains A, B, C
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 | 408 | 0.72 | 0.83 | 51 | BR |
| 2 | 172 | 0.58 | 0.82 | 25 | BR |
| 3 | 137 | 0.49 | 0.79 | 18 | empty |
| 4 | 145 | 0.46 | 0.77 | 24 | BR |
| 5 | 63 | 0.32 | 0.76 | 12 | empty |
Interfaces
3 interfaces between chains.
- B–C · 700 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 507 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 364 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6XKE · Structure of a mosquito complement inhibitor from Anopheles albimanus · 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 A0A1Y9G8D0
- Elsewhere: RCSB PDB 6XKE · PDBe 6XKE · UniProt A0A1Y9G8D0
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