Research workbench
Cross-linked B28 asp insulin
Analyse Cross-linked B28 asp insulin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZEI
- Type
- protein
- Length
- 318 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin
- UniProt
- P01315
- Ligands
- CRS, ZN, CL
- Pockets
- 8 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Insulin | protein | 53 | 68% helix, 9% strand | P01315 |
Ligands and binding sites
- CRS · M-cresol · ligand · 8 copies · chains A, C, D, B, E, F
- ZN · Zinc ion · metal · 2 copies · chains B, D, F, A, C, E
- CL · Chloride ion · ion · 2 copies · chains B, D, F, A, C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.89 | 0.91 | 114 | CRS |
| 2 | 381 | 0.80 | 0.88 | 45 | CRS |
| 3 | 245 | 0.63 | 0.81 | 30 | CRS |
| 4 | 84 | 0.57 | 0.87 | 19 | CL |
| 5 | 106 | 0.52 | 0.82 | 19 | empty |
Interfaces
12 interfaces between chains.
- C–D · 729 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 722 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 656 Ų buried · 5 hydrogen bonds · protein-protein
- D–F · 306 Ų buried · 1 hydrogen bond · protein-protein
- B–E · 304 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1ZEI · Cross-linked B28 asp insulin · 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 P01315
- Elsewhere: RCSB PDB 1ZEI · PDBe 1ZEI · UniProt P01315
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