MolNFT v1 · #12347 · protein
CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3- YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
1KE5 · Cell division protein kinase 2: “CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3- YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE”. X-ray diffraction, 1 ligand (LS1), 3 pockets (best druggability 0.68). MolNFT v1 #12347 on…
- PDB
- 1KE5
- Type
- protein
- Length
- 281 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
- LS1
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein kinase 2 (EC 2.7.1.37) | protein | 281 | 36% helix, 17% strand | P24941 |
Ligands and binding sites
- LS1 · N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide · ligand · 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 | 265 | 0.68 | 0.84 | 36 | LS1 |
| 2 | 56 | 0.40 | 0.80 | 14 | empty |
| 3 | 55 | 0.27 | 0.73 | 14 | empty |
Compared structures
- 1KE5 · CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzen… · 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 0.95
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 1KE5 · PDBe 1KE5 · UniProt P24941
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