MolNFT v1 · #120991 · protein
Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-YLMETHYL)CYCLOBUTYL)-5-(3-((tetrahydro-2H- pyran-2-YL)METHOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-amine.
5HHW: “Crystal structure of insulin receptor kinase domain in complex with…”. X-ray diffraction, 1 ligand (60O), 3 pockets (best druggability 0.74). MolNFT v1 #120991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5HHW
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor
- EC
- 2.7.10.1
- UniProt
- P06213
- Ligands
- 60O
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor (EC 2.7.10.1) | protein | 306 | 36% helix, 18% strand | P06213 |
Ligands and binding sites
- 60O · 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 546 | 0.74 | 0.81 | 58 | 60O |
| 2 | 110 | 0.42 | 0.77 | 25 | empty |
| 3 | 74 | 0.31 | 0.74 | 16 | empty |
Compared structures
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 P06213
- Elsewhere: RCSB PDB 5HHW · PDBe 5HHW · UniProt P06213
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