Structure of PDB 5o0j Chain A Binding Site BS03

Receptor Information
>5o0j Chain A (length=453) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNWESLYEKALDKVEASIRKVRGVLLAYNTNIDAIKYLKREDLEKRIEKV
GKEEVLRYSEELPKEIETIPQLLGSILWSIKRGKAAELLVVSREVREYMR
KWGWDELRMGGQVGIMANLLGGVYGIPVIAHVPQLSELQASLFLDGPIYV
PTFERGELRLIHPREFRKGEEDCIHYIYEFPRNFKVLDFEAPRENRFIGA
ADDYNPILYVREEWIERFEEIAKRSELAIISGLHPLTQENHGKPIKLVRE
HLKILNDLGIRAHLEFAFTPDEVVRLEIVKLLKHFYSVGLNEVELASVVS
VMGEKELAERIISKDPADPIAVIEGLLKLIKETGVKRIHFHTYGYYLALT
REKGEHVRDALLFSALAAATKAMKGNIEKLSDIREGLAVPIGEQGLEVEK
ILEKEFSLRDGIGSIEDYQLTFIPTKVVKKPKSTVGIGDTISSSAFVSEF
SLH
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain5o0j Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o0j Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		D37 E91 G114 G115 Q116 H179 D443
Binding residue
(residue number reindexed from 1)		D33 E87 G110 G111 Q112 H175 D439
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.-
2.7.1.147: ADP-specific glucose/glucosamine kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004340 glucokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043843 ADP-specific glucokinase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5o0j, PDBe:5o0j, PDBj:5o0j
PDBsum5o0j
PubMed29784881
UniProtO58328|GLKA_PYRHO ADP-dependent glucose/glucosamine kinase (Gene Name=glkA)

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