Structure of PDB 5eqy Chain A

Receptor sequence
>5eqyA (length=352) Species: 9606 (Homo sapiens) [Search protein sequence]
QPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPD
TTATLGDEPRKVLLRLYGAEAMVLESVMFAILAERSLGPKLYGIFPQGRL
EQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEK
YLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHN
DCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYS
YEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEM
LLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKL
GV
3D structure
PDB5eqy Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
ChainA
Resolution2.5 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.1.32: choline kinase.
2.7.1.82: ethanolamine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 5RA A D306 Y333 Y354 F361 W420 E434 F435 D201 Y228 Y249 F256 W315 E329 F330 MOAD: Kd=10nM
PDBbind-CN: -logKd/Ki=8.00,Kd=10nM
BindingDB: IC50=66nM,Kd=10.0nM
External links
PDB RCSB:5eqy, PDBe:5eqy, PDBj:5eqy
PDBsum5eqy
PubMed26700752
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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