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Cocrystal structure of unphosphorylated igf with pyrimidine 8
Analyse Cocrystal structure of unphosphorylated igf with pyrimidine 8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QQU
- Type
- protein
- Length
- 1,158 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin-like growth factor 1 receptor
- EC
- 2.7.10.1
- UniProt
- P08069
- Ligands
- 01P
- Pockets
- 14 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 285 | 36% helix, 15% strand | P08069 |
| B | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 288 | 38% helix, 13% strand | P08069 |
| C | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 293 | 37% helix, 15% strand | P08069 |
| D | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 292 | 34% helix, 14% strand | P08069 |
Ligands and binding sites
- 01P · N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.74 | 0.78 | 77 | 01P |
| 2 | 240 | 0.67 | 0.84 | 37 | 01P |
| 3 | 327 | 0.67 | 0.81 | 46 | 01P |
| 4 | 402 | 0.63 | 0.78 | 29 | empty |
| 5 | 189 | 0.60 | 0.82 | 30 | 01P |
Interfaces
2 interfaces between chains.
- B–C · 961 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 425 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3QQU · Cocrystal structure of unphosphorylated igf with pyrimidine 8 · the same entry in another collection · chain A against A, TM-score 1.00
- P08069 · AlphaFold monomer V2.0 prediction for insulin-like growth factor 1 receptor (P08069) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P08069
- Elsewhere: RCSB PDB 3QQU · PDBe 3QQU · UniProt P08069
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