MolNFT v1 · #78226 · protein
Crystal structure of CDK2 with a 2-aminopyrimidine compound
3S2P · Cyclin-dependent kinase 2: “Crystal structure of CDK2 with a 2-aminopyrimidine compound”. X-ray diffraction, 1 ligand (PMU), 2 pockets (best druggability 0.66). MolNFT v1 #78226 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3S2P
- Type
- protein
- Length
- 279 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
- PMU
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 279 | 35% helix, 16% strand | P24941 |
Ligands and binding sites
- PMU · (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol · ligand · 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 | 287 | 0.66 | 0.82 | 35 | PMU |
| 2 | 70 | 0.33 | 0.76 | 15 | 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 3S2P · PDBe 3S2P · UniProt P24941
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