MolNFT v2 · #216713 · protein
Crystal structure of the monomeric zinc free human insulin A22K, B3E, B26E, B29R, desB30 precursor with a Ser-Glu-Asp-Trp-Trp-Arg C-peptide and a Glu-Glu-Gly-Glu-Pro-Arg N-terminal extension
8PI6 · Insulin B chain,Insulin A chain: “Crystal structure of the monomeric zinc free human insulin A22K, B3E, B26E, B29R, desB30 precursor with a…”. X-ray diffraction at 2.14, 2 pockets (best druggability 0.59). MolNFT v2 #216713 on…
- PDB
- 8PI6
- Type
- protein
- Length
- 280 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.14
- Source
- Homo sapiens
- Molecule
- Insulin B chain,Insulin A chain
- UniProt
- P01308
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · resolution 2.14 · 5 distinct chains · 63% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin B chain,Insulin A chain | protein | 60 | 57% helix, 3% strand | P01308 |
| B | Insulin B chain,Insulin A chain | protein | 58 | 64% helix, 0% strand | P01308 |
| C | Insulin B chain,Insulin A chain | protein | 53 | 68% helix, 0% strand | P01308 |
| D | Insulin B chain,Insulin A chain | protein | 55 | 58% helix, 0% strand | P01308 |
| E | Insulin B chain,Insulin A chain | protein | 54 | 67% helix, 0% strand | P01308 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.59 | 0.80 | 35 | empty |
| 2 | 83 | 0.55 | 0.86 | 23 | empty |
Interfaces
8 interfaces between chains.
- A–B · 911 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 701 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 556 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 247 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 207 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide (disulfide).
Compared structures
- P01308 · AlphaFold monomer V2.0 prediction for insulin (P01308) · a predicted model of the same protein · chain C against A, TM-score 0.36
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 P01308
- Elsewhere: RCSB PDB 8PI6 · PDBe 8PI6 · UniProt P01308
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