MolNFT v1 · #121315 · protein
Insulin with proline analog hzp at position B28 in the R6 state
5HRQ · Insulin a-chain: “Insulin with proline analog hzp at position B28 in the R6 state”. X-ray diffraction, 3 ligands (IPH, ZN, CL), 8 pockets (best druggability 0.84). MolNFT v1 #121315 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5HRQ
- Type
- protein
- Length
- 303 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
- 8 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 65% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin a-chain | protein | 21 | 48% helix, 5% strand | P01308 |
| B, D, H | Insulin B-chain | protein | 30 | 70% helix, 10% strand | P01308 |
| F | Insulin B-chain | protein | 29 | 69% helix, 10% strand | P01308 |
| J, L | Insulin B-chain | protein | 29 | 69% helix, 10% strand | P01308 |
Ligands and binding sites
- IPH · Phenol · ligand · 6 copies · chains A, B, F, C, D, J, L, E, G, H, 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.84 | 0.90 | 62 | IPH |
| 2 | 52 | 0.66 | 0.95 | 16 | IPH |
| 3 | 148 | 0.62 | 0.85 | 30 | IPH |
| 4 | 158 | 0.46 | 0.76 | 25 | empty |
| 5 | 68 | 0.38 | 0.78 | 14 | empty |
Interfaces
39 interfaces between chains.
- F–H · 752 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 707 Ų buried · 13 hydrogen bonds · protein-protein
- J–L · 658 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 642 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 633 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 6 modified (disulfide, nonstandard).
Compared structures
- 5HRQ · Insulin with proline analog HzP at position B28 in the R6 state · 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 5HRQ · PDBe 5HRQ · UniProt P01308
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