Research workbench
Crystal structure of cryptosporidium parvum calcium dependent protein kinase CGD7_1840 in presence of indirubin E804
Analyse Crystal structure of cryptosporidium parvum calcium dependent protein kinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F3Z
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase with a kinase domain and 4 calmodulin like ef…
- UniProt
- Q5CYL9
- Ligands
- DRK
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase with a kinase domain and 4 calmodulin like ef hands | protein | 272 | 40% helix, 19% strand | Q5CYL9 |
Ligands and binding sites
- DRK · 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one · ligand · chains A
- GOL · Glycerol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.66 | 0.80 | 46 | DRK |
| 2 | 68 | 0.31 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 3F3Z · Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in… · 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 Q5CYL9
- Elsewhere: RCSB PDB 3F3Z · PDBe 3F3Z · UniProt Q5CYL9
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