MolNFT v1 · #49939 · protein
Crystal structure of cyclin-dependent kinase 2 with inhibitor
2R3K · Cell division protein kinase 2: “Crystal structure of cyclin-dependent kinase 2 with inhibitor”. X-ray diffraction, 2 ligands (ACE, SCQ), 1 pocket (best druggability 0.70). MolNFT v1 #49939 on GenesisL1: 3D structure, binding sites…
- PDB
- 2R3K
- Type
- protein
- Length
- 278 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein kinase 2
- EC
- 2.7.11.22
- UniProt
- P24941
- Ligands
- ACE, SCQ
- Pockets
- 1 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein kinase 2 (EC 2.7.11.22) | protein | 278 | 36% helix, 16% strand | P24941 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- SCQ · 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine · 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 | 277 | 0.70 | 0.84 | 43 | SCQ |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, oxidation).
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 2R3K · PDBe 2R3K · UniProt P24941
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