MolNFT v1 · #141068 · protein
Structure of CAMKK2 in complex with cki-010
5YVA · CALCIUM/CALMODULIN-dependent protein kinase kinase 2: “Structure of CAMKK2 in complex with cki-010”. X-ray diffraction, 2 ligands (91X, CL), 3 pockets (best druggability 0.64). MolNFT v1 #141068 on GenesisL1: 3D structure, binding…
- PDB
- 5YVA
- Type
- protein
- Length
- 260 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
- 91X, CL
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase kinase 2 (EC 2.7.11.17) | protein | 260 | 32% helix, 22% strand | Q96RR4 |
Ligands and binding sites
- 91X · 3-(1H-tetrazol-5-yl)-10lambda~6~-thioxanthene-9,10,10-trione · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · 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 | 199 | 0.64 | 0.83 | 27 | 91X |
| 2 | 62 | 0.36 | 0.78 | 13 | empty |
| 3 | 52 | 0.26 | 0.73 | 15 | CL |
Modifications
Observed in the structure: 1 modified (artifact).
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 Q96RR4
- Elsewhere: RCSB PDB 5YVA · PDBe 5YVA · UniProt Q96RR4
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