MolNFT v1 · #70371 · protein
Crystal structure of full length CPCDPK3 (CGD5_820) in complex with CA2+ and amppnp
3LIJ · CALCIUM/CALMODULIN dependent protein kinase with a kinase…: “Crystal structure of full length CPCDPK3 (CGD5_820) in complex with CA2+ and amppnp”. X-ray diffraction, 3 ligands (ANP, CA, MG), 8 pockets (best druggability 0.68).…
- PDB
- 3LIJ
- Type
- protein
- Length
- 465 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…
- EC
- 2.7.1.-
- UniProt
- Q5CS01
- Ligands
- ANP, CA, MG
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% 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 (EC 2.7.1.-) | protein | 465 | 46% helix, 13% strand | Q5CS01 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.68 | 0.81 | 48 | empty |
| 2 | 265 | 0.67 | 0.83 | 39 | empty |
| 3 | 262 | 0.60 | 0.80 | 32 | empty |
| 4 | 130 | 0.50 | 0.79 | 20 | ANP |
| 5 | 68 | 0.39 | 0.80 | 18 | empty |
Compared structures
- 3LIJ · Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP · 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 Q5CS01
- Elsewhere: RCSB PDB 3LIJ · PDBe 3LIJ · UniProt Q5CS01
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