Research workbench
Crystal structure of putative CALCIUM/CALMODULIN-dependent protein kinase type II association domain (YP_315894.1) from thiobacillus denitrificans atcc 25259 at 2.00 a resolution
Analyse Crystal structure of putative CALCIUM/CALMODULIN-dependent protein kinase type… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GWR
- Type
- protein
- Length
- 254 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative CALCIUM/CALMODULIN-dependent protein kinase type II association domain
- UniProt
- Q3SH04
- Ligands
- UNL
- Pockets
- 2 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative CALCIUM/CALMODULIN-dependent protein kinase type II association domain | protein | 126 | 29% helix, 39% strand | Q3SH04 |
| B | Putative CALCIUM/CALMODULIN-dependent protein kinase type II association domain | protein | 128 | 28% helix, 38% strand | Q3SH04 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.39 | 0.77 | 15 | UNL |
| 2 | 92 | 0.37 | 0.75 | 15 | UNL |
Interfaces
1 interface between chains.
- A–B · 1234 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3GWR · Crystal structure of Putative calcium/calmodulin-dependent protein kinase type II… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q3SH04
- Elsewhere: RCSB PDB 3GWR · PDBe 3GWR · UniProt Q3SH04
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