Brand  (β version)

PDB ID: 5AFV

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
JH5 1-benzyl-4-(benzylamino)-1h-1,2,4-triazol-4-ium PoSSuM
Non-standard Residues
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Structure summary

Code : 5AFV   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1.
Release Data : 2015-03-18
Compound :
mol_id molecule chains synonym
1 CHOLINE KINASE ALPHA A,B CK, CHETK-ALPHA, ETHANOLAMINE KINASE, EK
ec: 2.7.1.32, 2.7.1.82
fragment: RESIDUES 80-457
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: STAR
expression_system_plasmid: PMALC2X
Authors : Serran-Aguilera, L., Nuti, R., Lopez-Cara, L.C., Gallo Mezo, M.A., Macchiarulo, A., Entrena, A., Hurtado-Guerrero, R.
Keywords : TRANSFERASE, VIRTUAL SCREENING, PHARMACOPHORE
Exp. method : X-RAY DIFFRACTION ( 2.25 Å )
Citation :

Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1

Serran-Aguilera, L.,Nuti, R.,Lopez-Cara, L.C.  et al.
(2015)  Mol Inform  34 : 458

PubMed: 27490389
DOI: 10.1002/MINF.201400140

Reaction

Chain : A, B
UniProt : P35790 (CHKA_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + choline = ADP + H(+) + phosphocholine 2.7.1.32 PubMed:17007874, PubMed:19915674, PubMed:34077757, PubMed:35202461
left-to-right PubMed:17007874, PubMed:19915674
ATP + ethanolamine = ADP + H(+) + phosphoethanolamine 2.7.1.82 PubMed:17007874, PubMed:19915674
left-to-right PubMed:17007874, PubMed:19915674
[Isoform 1]
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 		- PubMed:34077757
left-to-right