MolNFT v1 · #123623 · protein
Crystal structure of CDK2 in complex with inhibitor ICEC0942
5JQ5 · Cyclin-dependent kinase 2: “Crystal structure of CDK2 in complex with inhibitor ICEC0942”. X-ray diffraction, 1 ligand (I74), 2 pockets (best druggability 0.70). MolNFT v1 #123623 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5JQ5
- Type
- protein
- Length
- 287 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
- I74
- Pockets
- 2 · best druggability 0.70
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 | 287 | 36% helix, 17% strand | P24941 |
Ligands and binding sites
- I74 · (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 304 | 0.70 | 0.84 | 33 | ACT, I74 |
| 2 | 72 | 0.37 | 0.77 | 20 | 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 P24941
- Elsewhere: RCSB PDB 5JQ5 · PDBe 5JQ5 · UniProt P24941
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