MolNFT v1 · #125227 · protein
The X-ray co-crystal structure of human CDK6 and abemaciclib.
5L2S · Cyclin-dependent kinase 6: “The X-ray co-crystal structure of human CDK6 and abemaciclib.”. X-ray diffraction, 1 ligand (6ZV), 2 pockets (best druggability 0.62). MolNFT v1 #125227 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5L2S
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-dependent kinase 6
- EC
- 2.7.11.22
- UniProt
- Q00534
- Ligands
- 6ZV
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 6 (EC 2.7.11.22) | protein | 263 | 40% helix, 17% strand | Q00534 |
Ligands and binding sites
- 6ZV · N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine · 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 | 203 | 0.62 | 0.82 | 22 | 6ZV |
| 2 | 114 | 0.40 | 0.75 | 25 | 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 Q00534
- Elsewhere: RCSB PDB 5L2S · PDBe 5L2S · UniProt Q00534
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