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Crystal structure of the apo form of choline kinase from plasmodium falciparum

Analyse Crystal structure of the apo form of choline kinase from plasmodium falciparum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6YXS
Type: protein
Length: 359 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choline kinase
EC: 2.7.1.32
UniProt: Q8IM71
Ligands: MG
Pockets: 4 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Choline kinase (EC 2.7.1.32)	protein	359	50% helix, 14% strand	Q8IM71

Ligands and binding sites

MG · Magnesium ion · metal · chains A
GOL · Glycerol · additive · 6 copies · chains A
1PE · Pentaethylene glycol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	786	0.77	0.81	64	MG, GOL
2	107	0.59	0.86	25	GOL
3	108	0.47	0.79	11	empty
4	122	0.45	0.77	17	GOL

Compared structures

6YXS · Crystal structure of the apo form of choline kinase from Plasmodium falciparum · 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 Q8IM71
Elsewhere: RCSB PDB 6YXS · PDBe 6YXS · UniProt Q8IM71

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