Research workbench
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Analyse Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AJZ
- Type
- protein
- Length
- 99 residues
- Chains
- 4
- 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
- 1 · best druggability 0.31
Structure
x-ray diffraction · 3 distinct chains · 59% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Insulin a chain | protein | 21 | 57% helix, 5% strand | P01308 |
| B | Insulin B chain | protein | 29 | 48% helix, 10% strand | P01308 |
| D | Insulin B chain | protein | 28 | 71% helix, 11% strand | P01308 |
Ligands and binding sites
- IPH · Phenol · ligand · chains D
- ZN · Zinc ion · metal · 2 copies · chains B, D
- CL · Chloride ion · ion · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.31 | 0.75 | 11 | empty |
Interfaces
5 interfaces between chains.
- A–B · 772 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 665 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 615 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 65 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4AJZ · Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by… · 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 4AJZ · PDBe 4AJZ · UniProt P01308
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