MolNFT v1 · #56931 · protein
Crystal structure of human CALCIUM/CALMODULIN-dependent protein kinase kinase 2, beta, CAMKK2 kinase domain in complex with sto-609
2ZV2: “Crystal structure of human CALCIUM/CALMODULIN-dependent protein kinase kinase 2, beta, CAMKK2 kinase domain…”. X-ray diffraction, 1 ligand (609), 2 pockets (best druggability 0.65). MolNFT v1 #56931 on GenesisL1: 3D structure…
- PDB
- 2ZV2
- Type
- protein
- Length
- 256 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
- 609
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 33% 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 | 256 | 33% helix, 21% strand | Q96RR4 |
Ligands and binding sites
- 609 · 7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid · 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 | 214 | 0.65 | 0.84 | 29 | 609 |
| 2 | 57 | 0.30 | 0.75 | 15 | empty |
Compared structures
- 2ZV2 · Crystal structure of human calcium/calmodulin-dependent protein kinase kinase 2, beta… · 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 2ZV2 · PDBe 2ZV2 · UniProt Q96RR4
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