MolNFT v1 · #25890 · protein
Structural properties of the B25TYR-nme-B26PHE insulin mutant.
1W8P · Insulin a-chain: “Structural properties of the B25TYR-nme-B26PHE insulin mutant.”. X-ray diffraction, 2 ligands (IPH, ZN), 8 pockets (best druggability 0.76). MolNFT v1 #25890 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1W8P
- Type
- protein
- Length
- 297 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
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin a-chain | protein | 21 | 52% helix, 0% strand | P01308 |
| B, F, J | Insulin B-chain | protein | 29 | 72% helix, 7% strand | P01308 |
| D, H, L | Insulin B-chain | protein | 28 | 75% helix, 11% 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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.76 | 0.87 | 51 | IPH |
| 2 | 223 | 0.73 | 0.89 | 41 | IPH |
| 3 | 213 | 0.68 | 0.85 | 33 | IPH |
| 4 | 223 | 0.66 | 0.84 | 32 | IPH |
| 5 | 164 | 0.65 | 0.85 | 30 | IPH |
Interfaces
39 interfaces between chains.
- F–H · 738 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 707 Ų buried · 7 hydrogen bonds · protein-protein
- J–L · 681 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 668 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 629 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 1W8P · Structural properties of the B25Tyr-NMe-B26Phe insulin mutant. · 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 1W8P · PDBe 1W8P · UniProt P01308
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