MolNFT v1 · #64590 · protein
Islet amyloid polypeptide (iapp or amylin) fused to maltose binding protein
3G7V · Maltose-binding periplasmic protein, islet amyloid…: “Islet amyloid polypeptide (iapp or amylin) fused to maltose binding protein”. X-ray diffraction, 2 ligands (GLC, SO4), 20 pockets (best druggability 0.79). MolNFT v1 #64590 on…
- PDB
- 3G7V
- Type
- protein
- Length
- 1,592 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic protein, islet amyloid polypeptide fusion protein
- UniProt
- P0AEX9, P10997
- Ligands
- GLC, SO4
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maltose-binding periplasmic protein, islet amyloid polypeptide fusion protein | protein | 399 | 47% helix, 20% strand | P0AEX9, P10997 |
| C, D | Maltose-binding periplasmic protein, islet amyloid polypeptide fusion protein | protein | 397 | 46% helix, 19% strand | P0AEX9, P10997 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 15 copies · chains A, B, C, D
- GOL · Glycerol · additive · 5 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, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1080 | 0.79 | 0.81 | 98 | GLC |
| 2 | 285 | 0.71 | 0.85 | 27 | GLC |
| 3 | 317 | 0.71 | 0.84 | 33 | GLC |
| 4 | 302 | 0.69 | 0.83 | 38 | GLC |
| 5 | 92 | 0.55 | 0.85 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 551 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 511 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 508 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3G7V · Islet Amyloid Polypeptide (IAPP or Amylin) fused to Maltose Binding Protein · the same entry in another collection · chain A against A, TM-score 1.00
- P10997 · AlphaFold monomer V2.0 prediction for islet amyloid polypeptide (P10997) · a predicted model of the same protein · chain A against A, TM-score 0.09
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 P0AEX9
- Every structure of UniProt P10997
- Elsewhere: RCSB PDB 3G7V · PDBe 3G7V · UniProt P0AEX9 · UniProt P10997
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