MolNFT v1 · #126931 · protein
CCT068127 in complex with CDK2
5MHQ · Cyclin-dependent kinase 2: “CCT068127 in complex with CDK2”. X-ray diffraction, 1 ligand (8QT), 2 pockets (best druggability 0.68). MolNFT v1 #126931 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5MHQ
- Type
- protein
- Length
- 292 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
- 8QT
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 292 | 37% helix, 17% strand | P24941 |
Ligands and binding sites
- 8QT · (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol · 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 | 307 | 0.68 | 0.83 | 32 | 8QT |
| 2 | 99 | 0.38 | 0.75 | 18 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
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 5MHQ · PDBe 5MHQ · UniProt P24941
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