Structure of PDB 3g15 Chain B Binding Site BS02

Receptor Information
>3g15 Chain B (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRAYLWCKEFLPAWMLFQCVLLRLMVLESVMFAILAERSLGPKLYGIFP
QGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFG
TMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVV
FCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWM
YDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSII
KEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQ
KRKLGV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3g15 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3g15 Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N311 D330
Binding residue
(residue number reindexed from 1)		N160 D179
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.32: choline kinase.
2.7.1.82: ethanolamine kinase.
External links
PDB RCSB:3g15, PDBe:3g15, PDBj:3g15
PDBsum3g15
PubMed20299452
UniProtP35790|CHKA_HUMAN Choline kinase alpha (Gene Name=CHKA)

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