MolNFT v1 · #19391 · protein
Human insulin hexamers with chain B his mutated to tyr complexed with resorcinol
1QIZ · Insulin a chain: “Human insulin hexamers with chain B his mutated to tyr complexed with resorcinol”. X-ray diffraction, 3 ligands (RCO, ZN, CL), 7 pockets (best druggability 0.84). MolNFT v1 #19391 on GenesisL1: 3D structure…
- PDB
- 1QIZ
- Type
- protein
- Length
- 306 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
- RCO, ZN, CL
- Pockets
- 7 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin a chain | protein | 21 | 67% helix, 5% strand | P01308 |
| B, D, F, H, J, L | Insulin B chain | protein | 30 | 70% helix, 10% strand | P01308 |
Ligands and binding sites
- RCO · Resorcinol · 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 772 | 0.84 | 0.86 | 117 | RCO |
| 2 | 96 | 0.74 | 0.95 | 19 | RCO |
| 3 | 203 | 0.64 | 0.83 | 34 | RCO |
| 4 | 120 | 0.50 | 0.80 | 24 | CL |
| 5 | 84 | 0.46 | 0.81 | 20 | CL |
Interfaces
39 interfaces between chains.
- F–H · 774 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 761 Ų buried · 11 hydrogen bonds · protein-protein
- J–L · 741 Ų buried · 11 hydrogen bonds · protein-protein
- I–J · 678 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 673 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1QIZ · Human insulin hexamers with chain B his mutated to tyr complexed with resorcinol · 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 1QIZ · PDBe 1QIZ · UniProt P01308
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