MolNFT v1 · #110740 · protein

Activated calcium-dependent protein kinase 1 from cryptosporidium parvum (CPCDPK1) in complex with AMP

4Y5Q · Calmodulin-domain protein kinase 1, putative: “Activated calcium-dependent protein kinase 1 from cryptosporidium parvum (CPCDPK1) in complex with AMP”. X-ray diffraction, 2 ligands (AMP, CA), 10 pockets (best druggability 0.74).…

PDB: 4Y5Q
Type: protein
Length: 449 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin-domain protein kinase 1, putative
UniProt: A3FQ16
Ligands: AMP, CA
Pockets: 10 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin-domain protein kinase 1, putative	protein	449	51% helix, 12% strand	A3FQ16

Ligands and binding sites

AMP · Adenosine monophosphate · ligand · chains A
CA · Calcium ion · metal · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	134	0.74	0.92	22	empty
2	97	0.72	0.94	24	empty
3	287	0.67	0.83	35	AMP
4	531	0.64	0.76	59	empty
5	90	0.50	0.83	17	empty

Compared structures

4Y5Q · Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) 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 A3FQ16
Elsewhere: RCSB PDB 4Y5Q · PDBe 4Y5Q · UniProt A3FQ16

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