Structure of PDB 5eqe Chain A

Receptor sequence
>5eqeA (length=353) Species: 9606 (Homo sapiens) [Search protein sequence]
DEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSL
PDTTATLGDEPRKVLLRLYGAIMVLESVMFAILAERSLGPKLYGIFPQGR
LEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTME
KYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCH
NDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDY
SYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEE
MLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRK
LGV
3D structure
PDB5eqe Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
ChainA
Resolution2.4 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 5R8 A D306 Y354 W420 F435 Y440 D202 Y250 W316 F331 Y336 MOAD: Kd=132uM
PDBbind-CN: -logKd/Ki=3.88,Kd=132uM
BindingDB: Kd=132000nM,IC50=87000nM
External links
PDB RCSB:5eqe, PDBe:5eqe, PDBj:5eqe
PDBsum5eqe
PubMed26700752
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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