MolNFT v1 · #69559 · protein

Crystal structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440

3KU2 · Calmodulin-domain protein kinase 1: “Crystal structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440”. X-ray diffraction, 2 ligands (ANP, UNX), 5 pockets (best druggability 0.80). MolNFT v1 #69559 on GenesisL1…

PDB: 3KU2
Type: protein
Length: 457 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin-domain protein kinase 1
UniProt: Q9BJF5
Ligands: ANP, UNX
Pockets: 5 · best druggability 0.80

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	protein	457	51% helix, 12% strand	Q9BJF5

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
UNX · Unknown atom or ion · ion · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	691	0.80	0.84	80	ANP
2	165	0.49	0.77	23	empty
3	98	0.42	0.78	16	empty
4	111	0.39	0.76	17	empty
5	79	0.38	0.77	18	empty

Compared structures

3KU2 · Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 · 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 Q9BJF5
Elsewhere: RCSB PDB 3KU2 · PDBe 3KU2 · UniProt Q9BJF5

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