MolNFT v1 · #30492 · protein
Human CDK2 in complex with olomoucine II, a novel 2,6,9- trisubstituted purine cyclin-dependent kinase inhibitor
2A0C · Cell division protein kinase 2: “Human CDK2 in complex with olomoucine II, a novel 2,6,9- trisubstituted purine cyclin-dependent kinase…”. X-ray diffraction, 1 ligand (CK9), 4 pockets (best druggability 0.70). MolNFT v1 #30492 on…
- PDB
- 2A0C
- Type
- protein
- Length
- 294 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
- CK9
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Cell division protein kinase 2 (EC 2.7.1.37) | protein | 294 | 34% helix, 17% strand | P24941 |
Ligands and binding sites
- CK9 · 2-{[(2-{[(1R)-1-(hydroxymethyl)propyl]amino}-9-isopropyl-9H-purin-6-yl)amino]methyl}phenol · ligand · chains X
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 | 320 | 0.70 | 0.84 | 36 | CK9 |
| 2 | 72 | 0.37 | 0.77 | 21 | empty |
| 3 | 72 | 0.36 | 0.76 | 18 | empty |
| 4 | 52 | 0.25 | 0.73 | 16 | empty |
Compared structures
- 2A0C · Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine… · the same entry in another collection · chain X against X, TM-score 1.00
- P24941 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 2 (P24941) · a predicted model of the same protein · chain X 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 2A0C · PDBe 2A0C · UniProt P24941
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