Structure of PDB 8dtc Chain A Binding Site BS01

Receptor Information
>8dtc Chain A (length=374) Species: 5755 (Acanthamoeba castellanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVDIGEEARPALLHWKDRFKESLKYFVGVDIGGTNTRVALDTGSSDEPYV
QIAKFRASSSKHIVEGLQQVARQVADILGVPASGACLAGAGRIGDDGLSL
DITNYPGTPADRTLTSDQLPTYLFPADATHYINDLESTCYGLKSLNESNQ
LASFFKPLWSTSDTVTMKRANYLVLAVGTGLGIALLTSLGRGSRNIPLQV
MPMEFGHALYSPVTDPAKKDEEDRLAAYLSKTLYSGKNAIEYEDIVSGRG
VLAVYQWITAEHKEAAKYESAEEISAAAFREDPCPFATKALLIHYRFLMR
VAKNLCVGLQAKGMFLAGDNQVVNNPFFEKYLAEMRAEFLDHPKPDWIDK
VELYTQTQSFNINLHGALYYARTD
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain8dtc Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8dtc Crystal Structure of Glucokinase with bound glucose from Acanthamoeba castellanii
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G102 T114 N144 D145 L192 G193 E215 H218 E254
Binding residue
(residue number reindexed from 1)		G91 T103 N133 D134 L181 G182 E204 H207 E243
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0005524 ATP binding
GO:0005536 D-glucose binding
Biological Process
GO:0006096 glycolytic process
GO:0051156 glucose 6-phosphate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8dtc, PDBe:8dtc, PDBj:8dtc
PDBsum8dtc
PubMed
UniProtL8GT25

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