MolNFT v1 · #73238 · protein
Crystal structure of insulin-like growth factor 1 receptor (igf-1R-wt) complex with a carbon-linked proline isostere inhibitor (11B)
3NW5: “Crystal structure of insulin-like growth factor 1 receptor (igf-1R-wt) complex with a carbon-linked proline…”. X-ray diffraction, 1 ligand (LGX), 3 pockets (best druggability 0.70). MolNFT v1 #73238 on GenesisL1: 3D structure…
- PDB
- 3NW5
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- 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
- LGX
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin-like growth factor 1 receptor (EC 2.7.10.1) | protein | 302 | 39% helix, 15% strand | P08069 |
Ligands and binding sites
- LGX · N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.70 | 0.81 | 44 | LGX |
| 2 | 100 | 0.41 | 0.76 | 22 | empty |
| 3 | 50 | 0.26 | 0.74 | 13 | empty |
Compared structures
- 3NW5 · Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with a… · 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 3NW5 · PDBe 3NW5 · UniProt P08069
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