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Crystal structure of an cyclohexylalanine substituted insulin analog.
Analyse Crystal structure of an cyclohexylalanine substituted insulin analog. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4P65
- Type
- protein
- Length
- 293 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin
- UniProt
- P01308
- Ligands
- IPH, ZN, CL
- Pockets
- 10 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K | Insulin | protein | 21 | 48% helix, 5% strand | P01308 |
| B | Insulin | protein | 27 | 78% helix, 11% strand | P01308 |
| D, F, H, J, L | Insulin | protein | 28 | 75% helix, 11% strand | P01308 |
Ligands and binding sites
- IPH · Phenol · 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
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 394 | 0.87 | 0.95 | 67 | IPH |
| 2 | 154 | 0.80 | 0.95 | 33 | IPH |
| 3 | 124 | 0.47 | 0.78 | 23 | empty |
| 4 | 98 | 0.44 | 0.79 | 22 | CL |
| 5 | 80 | 0.42 | 0.79 | 21 | CL |
Interfaces
39 interfaces between chains.
- F–H · 743 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 710 Ų buried · 11 hydrogen bonds · protein-protein
- J–L · 707 Ų buried · 12 hydrogen bonds · protein-protein
- K–L · 556 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 550 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 6 modified (disulfide, nonstandard).
Compared structures
- 4P65 · Crystal structure of an cyclohexylalanine substituted insulin analog. · 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 4P65 · PDBe 4P65 · UniProt P01308
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