MolNFT v1 · #56652 · protein
Complex structure of insulin-like growth factor receptor and isoquinolinedione inhibitor
2ZM3 · Insulin-like growth factor 1 receptor: “Complex structure of insulin-like growth factor receptor and isoquinolinedione inhibitor”. X-ray diffraction, 1 ligand (575), 19 pockets (best druggability 0.73). MolNFT v1 #56652 on…
- PDB
- 2ZM3
- Type
- protein
- Length
- 1,197 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
- 575
- Pockets
- 19 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 303 | 37% helix, 19% strand | P08069 |
| B | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 299 | 38% helix, 20% strand | P08069 |
| C | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 299 | 37% helix, 17% strand | P08069 |
| D | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 296 | 39% helix, 18% strand | P08069 |
Ligands and binding sites
- 575 · (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 729 | 0.73 | 0.79 | 76 | empty |
| 2 | 291 | 0.67 | 0.82 | 35 | 575 |
| 3 | 255 | 0.65 | 0.82 | 36 | 575 |
| 4 | 243 | 0.64 | 0.82 | 35 | 575 |
| 5 | 254 | 0.62 | 0.80 | 32 | 575 |
Interfaces
4 interfaces between chains.
- B–C · 622 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 497 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 167 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 74 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (phosphorylation).
Compared structures
- 2ZM3 · Complex Structure of Insulin-like Growth Factor Receptor and Isoquinolinedione Inhibitor · the same entry in another collection · chain D against D, 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 D against A, TM-score 0.91
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 2ZM3 · PDBe 2ZM3 · UniProt P08069
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