MolNFT v1 · #188876 · protein
Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B
7UJQ · CALCIUM/CALMODULIN-dependent protein kinase type II subunit…: “Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B”. X-ray diffraction, 1 ligand (UZD), 8 pockets (best druggability 0.88). MolNFT v1 #188876 on…
- PDB
- 7UJQ
- Type
- protein
- Length
- 562 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha; Glutamate receptor…
- EC
- 2.7.11.17
- UniProt
- Q9UQM7, Q13224
- Ligands
- UZD
- Pockets
- 8 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 268 | 38% helix, 21% strand | Q9UQM7 |
| C | Glutamate receptor ionotropic, NMDA 2B | protein | 14 | 0% helix, 7% strand | Q13224 |
| D | Glutamate receptor ionotropic, NMDA 2B | protein | 12 | 0% helix, 17% strand | Q13224 |
Ligands and binding sites
- UZD · methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1066 | 0.88 | 0.89 | 117 | UZD |
| 2 | 120 | 0.51 | 0.81 | 15 | empty |
| 3 | 132 | 0.51 | 0.80 | 19 | empty |
| 4 | 60 | 0.47 | 0.84 | 18 | empty |
| 5 | 53 | 0.46 | 0.85 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1012 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 964 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 490 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 373 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 275 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7UJQ · Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UQM7 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q13224 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2B (Q13224) · a predicted model of the same protein · chain D against A, TM-score 0.44
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 Q9UQM7
- Every structure of UniProt Q13224
- Elsewhere: RCSB PDB 7UJQ · PDBe 7UJQ · UniProt Q9UQM7 · UniProt Q13224
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.