MolNFT v1 · #32962 · protein
Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design
2C5Y · Cell division protein kinase 2: “Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design”. X-ray diffraction, 1 ligand (MTW), 1 pocket (best druggability 0.72). MolNFT v1 #32962 on GenesisL1…
- PDB
- 2C5Y
- Type
- protein
- Length
- 290 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein kinase 2
- EC
- 2.7.1.37
- UniProt
- P24941
- Ligands
- MTW
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein kinase 2 (EC 2.7.1.37) | protein | 290 | 34% helix, 16% strand | P24941 |
Ligands and binding sites
- MTW · Hydroxy(oxo)(3-{[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]amino}phenyl)ammonium · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.72 | 0.85 | 41 | MTW |
Compared structures
- 2C5Y · Differential binding of inhibitors to active and inactive CDK2 provides insights for drug… · the same entry in another collection · chain A against A, TM-score 1.00
- P24941 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 2 (P24941) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 2C5Y · PDBe 2C5Y · UniProt P24941
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