MolNFT v1 · #152614 · protein
Crystal structure of CDK2 in complex with inhibitor cvt-313
6INL · Cyclin-dependent kinase 2: “Crystal structure of CDK2 in complex with inhibitor cvt-313”. X-ray diffraction, 1 ligand (AJR), 3 pockets (best druggability 0.65). MolNFT v1 #152614 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6INL
- Type
- protein
- Length
- 272 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
- AJR
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 272 | 35% helix, 17% strand | P24941 |
Ligands and binding sites
- AJR · 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol) · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.65 | 0.83 | 25 | AJR |
| 2 | 153 | 0.58 | 0.82 | 28 | empty |
| 3 | 57 | 0.37 | 0.79 | 18 | 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 6INL · PDBe 6INL · UniProt P24941
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