MolNFT v1 · #188879 · protein
Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B(S1303D) in complex with ATP
7UJT · CALCIUM/CALMODULIN-dependent protein kinase type II subunit…: “Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B(S1303D) in complex with ATP”. X-ray diffraction, 2 ligands (ATP, MG), 3 pockets (best…
- PDB
- 7UJT
- Type
- protein
- Length
- 284 residues
- Chains
- 2
- 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
- ATP, MG
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 268 | 41% helix, 20% strand | Q9UQM7 |
| B | Glutamate receptor ionotropic, NMDA 2B | protein | 16 | 0% helix, 6% strand | Q13224 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal
- 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 | 572 | 0.66 | 0.76 | 52 | ATP, MG |
| 2 | 78 | 0.38 | 0.77 | 17 | empty |
| 3 | 67 | 0.34 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1093 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 7UJT · Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in… · 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 B against A, TM-score 0.32
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 7UJT · PDBe 7UJT · UniProt Q9UQM7 · UniProt Q13224
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