MolNFT v1 · #105910 · protein
CDK2 with EGFR inhibitor compound 8
4RJ3 · Cyclin-dependent kinase 2: “CDK2 with EGFR inhibitor compound 8”. X-ray diffraction, 1 ligand (3QS), 4 pockets (best druggability 0.69). MolNFT v1 #105910 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RJ3
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-dependent kinase 2
- EC
- 2.7.11.22
- UniProt
- P24941
- Ligands
- 3QS
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 288 | 36% helix, 17% strand | P24941 |
Ligands and binding sites
- 3QS · 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine · ligand · chains A
- ACT · Acetate ion · additive · 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 | 306 | 0.69 | 0.83 | 32 | ACT, 3QS |
| 2 | 74 | 0.36 | 0.76 | 19 | empty |
| 3 | 58 | 0.33 | 0.77 | 18 | empty |
| 4 | 67 | 0.29 | 0.73 | 14 | empty |
Modifications
Observed in the structure: 1 modified (acetylation).
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 P24941
- Elsewhere: RCSB PDB 4RJ3 · PDBe 4RJ3 · UniProt P24941
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