MolNFT v1 · #114414 · protein
Human insulin with intra-chain chemical crosslink between modified B24 and B29
5BOQ: “Human insulin with intra-chain chemical crosslink between modified B24 and B29”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.48). MolNFT v1 #114414 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5BOQ
- Type
- protein
- Length
- 183 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin
- UniProt
- P01308
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 6 distinct chains · 56% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, G | Insulin | protein | 21 | 57% helix, 5% strand | P01308 |
| B | Insulin | protein | 27 | 56% helix, 4% strand | P01308 |
| C | Insulin | protein | 20 | 65% helix, 0% strand | P01308 |
| D | Insulin | protein | 17 | 59% helix, 0% strand | P01308 |
| F | Insulin | protein | 29 | 48% helix, 3% strand | P01308 |
| H | Insulin | protein | 27 | 56% helix, 4% strand | P01308 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
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 | 58 | 0.48 | 0.85 | 18 | empty |
Interfaces
12 interfaces between chains.
- A–B · 657 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 632 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 631 Ų buried · 9 hydrogen bonds · protein-protein
- B–F · 506 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 452 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 5 modified (disulfide, nonstandard).
Compared structures
- 5BOQ · Human insulin with intra-chain chemical crosslink between modified B24 and B29 · 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 5BOQ · PDBe 5BOQ · UniProt P01308
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