Research workbench
Crystal structure of cryptosporidium parvum CDPK1, CGD3_920
Analyse Crystal structure of cryptosporidium parvum CDPK1, CGD3_920 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IGO
- Type
- protein
- Length
- 446 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-domain protein kinase 1
- UniProt
- A3FQ16
- Ligands
- ANP, SRT, CA, PO4
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-domain protein kinase 1 | protein | 446 | 52% helix, 11% strand | A3FQ16 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- SRT · S,R meso-tartaric acid · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- GOL · Glycerol · additive · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 423 | 0.69 | 0.80 | 58 | ANP, GOL |
| 2 | 181 | 0.66 | 0.86 | 32 | empty |
| 3 | 250 | 0.61 | 0.81 | 36 | empty |
| 4 | 218 | 0.59 | 0.80 | 30 | empty |
| 5 | 88 | 0.42 | 0.78 | 14 | GOL |
Compared structures
- 3IGO · Crystal structure of Cryptosporidium parvum CDPK1, cgd3_920 · 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 A3FQ16
- Elsewhere: RCSB PDB 3IGO · PDBe 3IGO · UniProt A3FQ16
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