Structure of PDB 5afv Chain A

Receptor sequence
>5afvA (length=354) Species: 9606 (Homo sapiens) [Search protein sequence]
DEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSL
PDTTATLGDEPRKVLLRLYGAEAMVLESVMFAILAERSLGPKLYGIFPQG
RLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTM
EKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFC
HNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYD
YSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKE
EMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKR
KLGV
3D structure
PDB5afv Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1
ChainA
Resolution2.25 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 JH5 A D306 Q308 Y333 Y354 W423 Y440 D203 Q205 Y230 Y251 W320 Y337 MOAD: Kd=2.6uM
PDBbind-CN: -logKd/Ki=5.59,Kd=2.6uM
External links
PDB RCSB:5afv, PDBe:5afv, PDBj:5afv
PDBsum5afv
PubMed27490389
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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