MolNFT v1 · #61015 · protein
Crystal structure of the insulin-like growth factor-1 receptor kinase in complex with pqip
3D94 · Insulin-like growth factor 1 receptor beta chain: “Crystal structure of the insulin-like growth factor-1 receptor kinase in complex with pqip”. X-ray diffraction, 2 ligands (D94, CA), 4 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 3D94
- Type
- protein
- Length
- 289 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin-like growth factor 1 receptor beta chain
- EC
- 2.7.1.112, 2.7.10.1
- UniProt
- P08069
- Ligands
- D94, CA
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-like growth factor 1 receptor beta chain (EC 2.7.1.112, 2.7.10.1) | protein | 289 | 38% helix, 16% strand | P08069 |
Ligands and binding sites
- D94 · 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 333 | 0.74 | 0.86 | 48 | D94 |
| 2 | 66 | 0.36 | 0.77 | 20 | empty |
| 3 | 60 | 0.29 | 0.74 | 20 | empty |
| 4 | 55 | 0.24 | 0.71 | 12 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 3D94 · Crystal structure of the insulin-like growth factor-1 receptor kinase in complex with PQIP · 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 0.95
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 3D94 · PDBe 3D94 · UniProt P08069
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