Structure of PDB 6qje Chain D Binding Site BS01

Receptor Information
>6qje Chain D (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPQVAELLAEAFREEFGEPELAVSAPGRVNLIGEHTDYNQGLVLPMALEL
MTVLVGSPDGLVSLLTTRLQFPLPPGTPRWANYVKGVIQYYPAAPLPGFS
AVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSQVCQQAEHSFMDQFIS
LMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRR
RQCEEVARALGAASLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQ
AAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYG
SRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVL
CL
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 D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		G196 L213 D215 P216 L218 A219 Q382 A383
Binding residue
(residue number reindexed from 1)		G156 L173 D175 P176 L178 A179 Q342 A343
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

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

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