Structure of PDB 5okg Chain D Binding Site BS01

Receptor Information
>5okg Chain D (length=462) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHLKPFPPEFLWGAASAAYQVEGAWNEDGKGLSVWDVFAKQPGRTFKGTN
GDVAVDHYHRYQEDVALMAEMGLKAYRFSVSWSRVFPDGNGAVNEKGLDF
YDRLIEELRNHGIEPIVTLYHWDVPQALMDAYGAWESRRIIDDFDRYAVT
LFQRFGDRVKYWVTLNQQNIFISFGYRLGLHPPGVKDMKRMYEANHIANL
ANAKVIQSFRHYVPDGKIGPSFAYSPMYPYDSRPENVLAFENAEEFQNHW
WMDVYAWGMYPQAAWNYLESQGLEPTVAPGDWELLQAAKPDFMGVNYYQT
TTVEHNPPDGVGTSSGIPGLFKTVRNPHVDTTNWDWAIDPVGLRIGLRRI
ANRYQLPILITENGLGEFDTLEPGDIVNDDYRIDYLRRHVQEIQRAITDG
VDVLGYCAWSFTDLLSWLNGYQKRYGFVYVNRDDESEKDLRRIKKKSFYW
YQRVIETNGAEL
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 chain5okg Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5okg Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		Q170 F177 Y301
Binding residue
(residue number reindexed from 1)		Q167 F174 Y298
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R80 H124 Q170 I173 N299 Y301 E378
Catalytic site (residue number reindexed from 1) R77 H121 Q167 I170 N296 Y298 E362
Enzyme Commision number 3.2.1.85: 6-phospho-beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033920 6-phospho-beta-galactosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016052 carbohydrate catabolic process
Cellular Component
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:5okg, PDBe:5okg, PDBj:5okg
PDBsum5okg
PubMed28975708
UniProtW8QF82

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