Research workbench
Complex structure of insulin-like growth factor receptor and 3- cyanoquinoline inhibitor
Analyse Complex structure of insulin-like growth factor receptor and 3- cyanoquinoline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F5P
- Type
- protein
- Length
- 4,791 residues
- Chains
- 16
- 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
- 741
- Pockets
- 20 · best druggability 0.69
Structure
x-ray diffraction · 9 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, H | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 302 | 38% helix, 18% strand | P08069 |
| B | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 301 | 39% helix, 17% strand | P08069 |
| C | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 304 | 38% helix, 17% strand | P08069 |
| D | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 300 | 37% helix, 18% strand | P08069 |
| E, F, G | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 302 | 39% helix, 20% strand | P08069 |
| I, R | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 297 | 37% helix, 20% strand | P08069 |
| J, K, L | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 296 | 39% helix, 17% strand | P08069 |
| M | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 298 | 39% helix, 20% strand | P08069 |
| S, T | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 298 | 38% helix, 18% strand | P08069 |
Ligands and binding sites
- 741 · 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile · ligand · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, M, L, R, S, T
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.69 | 0.81 | 36 | 741 |
| 2 | 413 | 0.69 | 0.80 | 35 | 741 |
| 3 | 369 | 0.69 | 0.81 | 33 | 741 |
| 4 | 371 | 0.69 | 0.81 | 33 | 741 |
| 5 | 361 | 0.68 | 0.81 | 34 | 741 |
Interfaces
29 interfaces between chains.
- J–S · 651 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 630 Ų buried · 3 hydrogen bonds · protein-protein
- M–L · 622 Ų buried · 2 hydrogen bonds · protein-protein
- I–T · 618 Ų buried · 3 hydrogen bonds · protein-protein
- C–H · 611 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (phosphorylation).
Compared structures
- 3F5P · Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor · the same entry in another collection · chain J against J, 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 P08069
- Elsewhere: RCSB PDB 3F5P · PDBe 3F5P · UniProt P08069
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