MolNFT v1 · #124104 · protein
Structure of human islet amyloid polypeptide in complex with an engineered binding protein
5K5G: “Structure of human islet amyloid polypeptide in complex with an engineered binding protein”. Solution nmr, 1 pocket (best druggability 0.51). MolNFT v1 #124104 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5K5G
- Type
- protein
- Length
- 109 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Islet amyloid polypeptide; HI18
- UniProt
- P10997
- Pockets
- 1 · best druggability 0.51
Structure
solution nmr · 2 distinct chains · 46% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Islet amyloid polypeptide | protein | 21 | 0% helix, 62% strand | P10997 |
| B, C | HI18 | protein | 44 | 68% helix, 7% strand | — |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.51 | 0.82 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 659 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 558 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 378 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5K5G · Structure of human islet amyloid polypeptide in complex with an engineered 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 0.18
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 P10997
- Elsewhere: RCSB PDB 5K5G · PDBe 5K5G · UniProt P10997
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