MolNFT v1 · #144172 · protein
Crystal structure of the human CAMKK2B in complex with CP673451
6BLE · CALCIUM/CALMODULIN-dependent protein kinase kinase 2: “Crystal structure of the human CAMKK2B in complex with CP673451”. X-ray diffraction, 1 ligand (34U), 3 pockets (best druggability 0.69). MolNFT v1 #144172 on GenesisL1: 3D…
- PDB
- 6BLE
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase kinase 2
- EC
- 2.7.11.17
- UniProt
- Q96RR4
- Ligands
- 34U
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase kinase 2 (EC 2.7.11.17) | protein | 265 | 35% helix, 21% strand | Q96RR4 |
Ligands and binding sites
- 34U · 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine · ligand · chains A
- GOL · Glycerol · additive · 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 | 183 | 0.69 | 0.87 | 30 | 34U |
| 2 | 54 | 0.36 | 0.79 | 18 | empty |
| 3 | 53 | 0.29 | 0.75 | 16 | empty |
Compared structures
- 6BLE · Crystal Structure of the Human CAMKK2B in complex with CP673451 · the same entry in another collection · chain A against A, TM-score 1.00
- Q96RR4 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase kinase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q96RR4
- Elsewhere: RCSB PDB 6BLE · PDBe 6BLE · UniProt Q96RR4
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