Structure of PDB 5eqp Chain B

Receptor sequence
>5eqpB (length=349) Species: 9606 (Homo sapiens) [Search protein sequence]
QPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPD
TTATLGDEPRKVLLRLYGMVLESVMFAILAERSLGPKLYGIFPQGRLEQF
IPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLK
EVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQ
EGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEK
YPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLE
VNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
3D structure
PDB5eqp Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
ChainB
Resolution2.35 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 5R9 B D306 Q308 Y333 Y354 W420 W423 F435 D198 Q200 Y225 Y246 W312 W315 F327 MOAD: Kd=4uM
BindingDB: Kd=4000nM,IC50=3900nM
External links
PDB RCSB:5eqp, PDBe:5eqp, PDBj:5eqp
PDBsum5eqp
PubMed26700752
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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