MolNFT v1 · #63723 · protein

Crystal structure of choline kinase from plasmodium falciparum, PF14_0020

3FI8: “Crystal structure of choline kinase from plasmodium falciparum, PF14_0020”. X-ray diffraction, 3 ligands (OPE, ADP, MG), 5 pockets (best druggability 0.72). MolNFT v1 #63723 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3FI8
Type: protein
Length: 339 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choline kinase
UniProt: Q8IM71
Ligands: OPE, ADP, MG
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Choline kinase	protein	339	51% helix, 15% strand	Q8IM71

Ligands and binding sites

OPE · Phosphoric acid mono-(2-amino-ethyl) ester · ligand · 2 copies · chains A
ADP · Adenosine-5'-diphosphate · 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

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	565	0.72	0.80	44	ADP, MG, OPE
2	106	0.49	0.80	13	OPE
3	109	0.48	0.80	13	empty
4	102	0.38	0.75	19	empty
5	87	0.37	0.75	14	empty

Compared structures

3FI8 · Crystal structure of choline kinase from Plasmodium Falciparum, PF14_0020 · 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 3FI8 · PDBe 3FI8 · UniProt Q8IM71

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.