Research workbench
Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and PHE467MET mutant human camkii-alpha hub domain
Analyse Structure of THR354ASN, GLU355GLN, THR412ASN, ILE414MET, ILE464HIS, and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OF8
- Type
- protein
- Length
- 904 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha
- EC
- 2.7.11.17
- UniProt
- Q9UQM7
- Ligands
- K
- Pockets
- 10 · best druggability 0.68
Structure
x-ray diffraction · 6 distinct chains · 31% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 128 | 30% helix, 48% strand | Q9UQM7 |
| B, C | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 130 | 32% helix, 47% strand | Q9UQM7 |
| G | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 125 | 34% helix, 46% strand | Q9UQM7 |
| E | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 130 | 29% helix, 47% strand | Q9UQM7 |
| A | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 131 | 30% helix, 47% strand | Q9UQM7 |
| D | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 130 | 32% helix, 47% strand | Q9UQM7 |
Ligands and binding sites
- K · Potassium ion · metal · 5 copies · chains F, E, A, D
- GOL · Glycerol · additive · 3 copies · chains F, C, E, D, G, B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.68 | 0.85 | 31 | empty |
| 2 | 320 | 0.66 | 0.81 | 34 | empty |
| 3 | 413 | 0.65 | 0.79 | 35 | empty |
| 4 | 274 | 0.65 | 0.82 | 44 | empty |
| 5 | 290 | 0.63 | 0.80 | 32 | empty |
Interfaces
13 interfaces between chains.
- C–D · 1101 Ų buried · 16 hydrogen bonds · protein-protein
- B–A · 1098 Ų buried · 17 hydrogen bonds · protein-protein
- F–E · 1077 Ų buried · 16 hydrogen bonds · protein-protein
- C–E · 599 Ų buried · 4 hydrogen bonds · protein-protein
- C–A · 573 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6OF8 · Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant… · 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 G 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 Q9UQM7
- Elsewhere: RCSB PDB 6OF8 · PDBe 6OF8 · UniProt Q9UQM7
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