MolNFT v1 · #104908 · protein
Crystal structure of CDPK4 from plasmodium falciparum, PF3D7_0717500
4QOX · Calcium-dependent protein kinase 4: “Crystal structure of CDPK4 from plasmodium falciparum, PF3D7_0717500”. X-ray diffraction, 2 ligands (DXR, MG), 3 pockets (best druggability 0.75). MolNFT v1 #104908 on GenesisL1: 3D structure…
- PDB
- 4QOX
- Type
- protein
- Length
- 462 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-dependent protein kinase 4
- EC
- 2.7.11.1
- UniProt
- Q8IBS5
- Ligands
- DXR, MG
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-dependent protein kinase 4 (EC 2.7.11.1) | protein | 462 | 47% helix, 15% strand | Q8IBS5 |
Ligands and binding sites
- DXR · 3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 934 | 0.75 | 0.78 | 82 | DXR |
| 2 | 134 | 0.50 | 0.79 | 16 | empty |
| 3 | 83 | 0.47 | 0.82 | 14 | empty |
Compared structures
- 4QOX · Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500 · the same entry in another collection · chain A against A, TM-score 1.00
- Q8IBS5 · AlphaFold monomer V2.0 prediction for calcium-dependent protein kinase 4 (Q8IBS5) · a predicted model of the same protein · chain A against A, TM-score 0.51
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 Q8IBS5
- Elsewhere: RCSB PDB 4QOX · PDBe 4QOX · UniProt Q8IBS5
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