MolNFT v1 · #74649 · protein
Insulin fibrillation is the janus face of induced fit. a chiral clamp stabilizes the native state at the expense of activity
3P33: “Insulin fibrillation is the janus face of induced fit. a chiral clamp stabilizes the native state at the…”. X-ray diffraction, 3 ligands (IPH, ZN, CL), 3 pockets (best druggability 0.59). MolNFT v1 #74649 on GenesisL1: 3D structure…
- PDB
- 3P33
- Type
- protein
- Length
- 204 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin
- UniProt
- P01308
- Ligands
- IPH, ZN, CL
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Insulin | protein | 21 | 48% helix, 5% strand | P01308 |
| B, D, F, H | Insulin | protein | 30 | 70% helix, 10% strand | P01308 |
Ligands and binding sites
- IPH · Phenol · ligand · 4 copies · chains A, B, C, D, E, F, G, H
- ZN · Zinc ion · metal · 4 copies · chains B, D, F, H
- CL · Chloride ion · ion · 4 copies · chains B, D, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 339 | 0.59 | 0.77 | 36 | empty |
| 2 | 85 | 0.38 | 0.77 | 15 | empty |
| 3 | 73 | 0.33 | 0.75 | 12 | empty |
Interfaces
13 interfaces between chains.
- B–D · 736 Ų buried · 10 hydrogen bonds · protein-protein
- F–H · 713 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 654 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 646 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 624 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 3P33 · Insulin fibrillation is the Janus face of induced fit. A chiral clamp stabilizes the… · 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 P01308
- Elsewhere: RCSB PDB 3P33 · PDBe 3P33 · UniProt P01308
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