MolNFT v1 · #39869 · protein

Crystal structure of human choline kinase a

2I7Q · Choline kinase alpha: “Crystal structure of human choline kinase a”. X-ray diffraction, 2 ligands (UNX, CL), 3 pockets (best druggability 0.60). MolNFT v1 #39869 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2I7Q
Type: protein
Length: 344 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Choline kinase alpha
EC: 2.7.1.32
UniProt: P35790
Ligands: UNX, CL
Pockets: 3 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Choline kinase alpha (EC 2.7.1.32)	protein	344	53% helix, 14% strand	P35790

Ligands and binding sites

UNX · Unknown atom or ion · ion · 11 copies · chains A
CL · Chloride ion · ion · chains A

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

Pockets

3 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	306	0.60	0.78	42	UNX
2	164	0.48	0.76	17	UNX
3	71	0.33	0.75	14	empty

Compared structures

2I7Q · Crystal structure of Human Choline Kinase A · the same entry in another collection · chain A against A, TM-score 1.00
P35790 · AlphaFold monomer V2.0 prediction for choline kinase alpha (P35790) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P35790
Elsewhere: RCSB PDB 2I7Q · PDBe 2I7Q · UniProt P35790

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