Structure of PDB 6qje Chain B Binding Site BS03

Receptor Information
>6qje Chain B (length=392) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQG
LVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLE
PGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATY
TFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALL
IDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARAL
GAASLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDY
RAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGG
CTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL
Ligand information
Ligand IDJ4Q
InChIInChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3
InChIKeyDWPGGNJRLYKHCD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)c1nccn1Cc2cscn2
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1nccn1Cc2cscn2
FormulaC8 H9 N3 O2 S2
Name4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
ChEMBL
DrugBank
ZINCZINC000096447797
PDB chain6qje Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6qje Structure of human galactokinase 1 bound with 4-{[2-(Methylsulfonyl)-1H-imidazol-1-yl]methyl}-1,3-thiazole
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R105 N108 F177 A178
Binding residue
(residue number reindexed from 1)		R105 N108 F177 A178
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.6: galactokinase.
Gene Ontology
Molecular Function
GO:0004335 galactokinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005534 galactose binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0006012 galactose metabolic process
GO:0016310 phosphorylation
GO:0019402 galactitol metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
GO:0046835 carbohydrate phosphorylation
GO:0061623 glycolytic process from galactose
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6qje, PDBe:6qje, PDBj:6qje
PDBsum6qje
PubMed
UniProtP51570|GALK1_HUMAN Galactokinase (Gene Name=GALK1)

[Back to BioLiP]