Research workbench
Semi-synthetic analogue of human insulin NMETYRB26-insulin in hexamer form
Analyse Semi-synthetic analogue of human insulin NMETYRB26-insulin in hexamer form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WS6
- Type
- protein
- Length
- 290 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin a chain; Insulin B chain
- UniProt
- P01308
- Ligands
- IPH, ZN, CL
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 73% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin a chain | protein | 21 | 57% helix, 5% strand | P01308 |
| B | Insulin B chain | protein | 26 | 81% helix, 8% strand | P01308 |
| D | Insulin B chain | protein | 27 | 78% helix, 7% strand | P01308 |
| F | Insulin B chain | protein | 29 | 69% helix, 3% strand | P01308 |
| H, L | Insulin B chain | protein | 27 | 78% helix, 4% strand | P01308 |
| J | Insulin B chain | protein | 28 | 75% helix, 4% strand | P01308 |
Ligands and binding sites
- IPH · Phenol · ligand · 6 copies · chains A, B, F, H, C, D, J, L, E, G, I, K
- ZN · Zinc ion · metal · 2 copies · chains B, F, J, D, H, L
- CL · Chloride ion · ion · 2 copies · chains B, F, J, D, H, L
- GOL · Glycerol · additive · chains K, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.85 | 0.88 | 119 | IPH |
| 2 | 60 | 0.71 | 0.97 | 16 | IPH |
| 3 | 100 | 0.49 | 0.81 | 21 | CL |
| 4 | 108 | 0.45 | 0.78 | 20 | CL |
| 5 | 135 | 0.43 | 0.76 | 22 | empty |
Interfaces
39 interfaces between chains.
- F–H · 717 Ų buried · 9 hydrogen bonds · protein-protein
- J–L · 656 Ų buried · 5 hydrogen bonds · protein-protein
- E–F · 633 Ų buried · 6 hydrogen bonds · protein-protein
- I–J · 588 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 586 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 4 modified (disulfide, nonstandard).
Compared structures
- 2WS6 · Semi-synthetic analogue of human insulin NMeTyrB26-insulin in hexamer form · 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 2WS6 · PDBe 2WS6 · UniProt P01308
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