Structure of PDB 1s4e Chain I Binding Site BS01

Receptor Information
>1s4e Chain I (length=351) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKITVKSPGRVNLIGEHTDYTYGYVMPMAIDLYTIITAEKYDKVQLYSEH
FNEEKTFTLDNLTKEGSWIDYVKGVLWVLIQEGYKIGGLKGKITGDLPLG
AGLSSSASFEVGILEVLNQLYNLNIDPLKKALLAKKAENEFVGVPCGILD
QFAVVFGKKDNVIFLDTQTLQYEYIPFPKDVSVLVFYTGVKRELASSEYA
ERKRIAEESLRILGKESSKEVTEKDLGKLPPLHRKFFSYIVRENARVLEV
RDALKEGDIEKVGKILTTAHWDLAENYRVSCEELDFFVKKAMELGAYGAR
LTGAGFGGSAIALVDKDKAKTIGDAILREYLAKFSWKAKYFVVKPSDGVG
V
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 chain1s4e Chain I Residue 8500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s4e Substrate specificity and mechanism from the structure of Pyrococcus furiosus galactokinase
Resolution2.9 Å
Binding residue
(original residue number in PDB)		E17 H18 D20 G148 D151 Y200
Binding residue
(residue number reindexed from 1)		E16 H17 D19 G147 D150 Y199
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.6: galactokinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004335 galactokinase activity
GO:0005524 ATP binding
GO:0005534 galactose binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006012 galactose metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s4e, PDBe:1s4e, PDBj:1s4e
PDBsum1s4e
PubMed15003454
UniProtQ9HHB6|GAL1_PYRFU Galactokinase (Gene Name=galK)

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