MolNFT v1 · #24330 · protein
CDK2 in complex with an IMIDAZO[1,2-B]PYRIDAZINE
1URW · Cell division protein kinase 2: “CDK2 in complex with an IMIDAZO[1,2-B]PYRIDAZINE”. X-ray diffraction, 2 ligands (ACE, I1P), 2 pockets (best druggability 0.65). MolNFT v1 #24330 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1URW
- Type
- protein
- Length
- 274 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
- ACE, I1P
- Pockets
- 2 · best druggability 0.65
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 2.7.1.37) | protein | 274 | 36% helix, 16% strand | P24941 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- I1P · 2-[4-(N-(3-dimethylaminopropyl)sulphamoyl)anilino]- · 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 | 296 | 0.65 | 0.81 | 31 | I1P |
| 2 | 63 | 0.35 | 0.77 | 13 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 1URW · PDBe 1URW · UniProt P24941
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