Research workbench
Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B
Analyse Cocrystal structure of human camkii-alpha (CAMK2A)KINASE domain and GLUN2B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UJP
- Type
- protein
- Length
- 561 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
- ADP, ATP, MG
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 37% helix, 20% 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 | 38% helix, 21% strand | Q9UQM7 |
| B | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 267 | 39% 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, 8% strand | Q13224 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A, B, C
- ATP · Adenosine-5'-triphosphate · ligand · chains A, B, D
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.83 | 0.89 | 61 | ADP, MG |
| 2 | 477 | 0.82 | 0.89 | 62 | ATP, MG |
| 3 | 132 | 0.57 | 0.83 | 27 | empty |
| 4 | 170 | 0.56 | 0.81 | 27 | empty |
| 5 | 62 | 0.46 | 0.84 | 21 | empty |
Interfaces
6 interfaces between chains.
- A–C · 958 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 927 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 431 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 400 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 279 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7UJP · Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B · the same entry in another collection · chain D against D, 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 B 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 0.47
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 7UJP · PDBe 7UJP · UniProt Q9UQM7 · UniProt Q13224
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