MolNFT v1 · #91684 · protein
Crystal structure of the CDK2 in complex with oxindole inhibitor
4FKP · Cyclin-dependent kinase 2: “Crystal structure of the CDK2 in complex with oxindole inhibitor”. X-ray diffraction, 3 ligands (ACE, LS5, NA), 3 pockets (best druggability 0.67). MolNFT v1 #91684 on GenesisL1: 3D structure, binding…
- PDB
- 4FKP
- 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
- ACE, LS5, NA
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 279 | 36% helix, 16% strand | P24941 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- LS5 · 3-{[4-([amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.67 | 0.84 | 26 | LS5 |
| 2 | 57 | 0.34 | 0.78 | 19 | empty |
| 3 | 59 | 0.30 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4FKP · Crystal structure of the cdk2 in complex with oxindole inhibitor · 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 0.96
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 4FKP · PDBe 4FKP · UniProt P24941
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