Structure of PDB 2dej Chain A Binding Site BS01

Receptor Information
>2dej Chain A (length=346) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKVKSPGRVNLIGEHTDYTYGYVMPMAINLYTKIEAEKHGEVILYSEHF
GEERKFSLNDLRKENSWIDYVKGIFWVLKESDYEVGGIKGRVSGNLPLGA
GLSSSASFEVGILETLDKLYNLKLDSLSKVLLAKKAENEFVGVPCGILDQ
FAVVFGREGNVIFLDTHTLDYEYIPFPKDVSILVFYTGVRSSEYAERKHI
AEESLKILGKGSSKEVREGELSKLPPLHRKFFGYIVRENARVLEVRDALK
EGNVEEVGKILTTAHWDLAKNYEVSCKELDFFVERALKLGAYGARLTGAG
FGGSAIALVDKEDAETIGEEILREYLKRFPWKARHFIVEPSDGVGI
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 chain2dej Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dej Crystal Structure of galaktokinase from Pyrococcus horikoshii
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E15 H16 D18 G146 D149 Y198
Binding residue
(residue number reindexed from 1)		E15 H16 D18 G146 D149 Y194
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: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:2dej, PDBe:2dej, PDBj:2dej
PDBsum2dej
PubMed
UniProtO58107|GAL1_PYRHO Galactokinase (Gene Name=galK)

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