Structure of PDB 2aj4 Chain B Binding Site BS01

Receptor Information
>2aj4 Chain B (length=505) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIVPEFNSSELPRPLAEKCPSIIKKFISAYDAKPDFVARSPGRVNLIGEH
IDYCDFSVLPLAIDFDMLCAVKVLNEKNPSITLINADPKFAQRKFDLPLD
GSYVTIDPSVSDWSNYFKCGLHVAHSFLKKLAPERFASAPLAGLQVFCEG
DVPTGSGLSSSAAFICAVALAVVKANMGPGYHMSKQNLMRITVVAEHYVG
VNNGGMDQAASVCGEEDHALYVEFKPQLKATPFKFPQLKNHEISFVIANT
LVVSNKFETAPTNYNLRVVEVTTAANVLAATYGVVLLNKGNLRDFMNVYY
ARYHNISTPWNGDIESGIERLTKMLVLVEESLANKKQGFSVDDVAQSLNC
SREEFTRDYLTTSPVRFQVLKLYQRAKHVYSESLRVLKAVKLMTTDEDFF
KQFGALMNESQASCDKLYECSCPEIDKICSIALSNGSYGSRLTGAGWGGC
TVHLVPGGPNGNIEKVKEALANEFYKVKYPKITDAELENAIIVSKPALGS
CLYEL
Ligand information
Ligand IDGLA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain2aj4 Chain B Residue 529 [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]
PDB2aj4 Molecular structure of Saccharomyces cerevisiae Gal1p, a bifunctional galactokinase and transcriptional inducer
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E59 H60 D62 Y63 N213 G214 D217 Y274 A468
Binding residue
(residue number reindexed from 1)		E49 H50 D52 Y53 N203 G204 D207 Y264 A445
Annotation score5
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:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0000411 positive regulation of transcription by galactose
GO:0000435 positive regulation of transcription from RNA polymerase II promoter by galactose
GO:0006012 galactose metabolic process
GO:0016310 phosphorylation
GO:0033499 galactose catabolic process via UDP-galactose
GO:0044281 small molecule metabolic process
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005667 transcription regulator complex
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2aj4, PDBe:2aj4, PDBj:2aj4
PDBsum2aj4
PubMed16115868
UniProtP04385|GAL1_YEAST Galactokinase (Gene Name=GAL1)

[Back to BioLiP]