Structure of PDB 5goq Chain B Binding Site BS01

Receptor Information
>5goq Chain B (length=435) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRETESWKLLESSIIYYEGNPIGTVAAQDPEQCFLRDFVPSAFVFLMDGQ
TDIVRNFLIETLTLQSHEKEMDCFQPGAGLMPASFKVESEYLVADFGEKA
IARVPPVDSCMWWILLLRAYEKATGDLTLAREPKFQAGIKLILDLCLAHR
FSMYPTMLVPDGAFMIDRRMGVYEHPLEIQVLFYAALRAARELLLPDGDG
EQYLNKVHGRLGALQYHIRNYYWVDLKRLREIYRYKGNEFGKEIANKFNI
FSQSIPDWVIEWLPEKGGYLAGNLGPGRMDFRFFALGNLMAILAGLASEE
ESQRIMNLFAHRWEDLIGYMPVKICYPALQGLEWQIVTGCDPKNIPWSYH
NGGNWPVLLWLFTAAALKTGKVELAHEAIAIAEGRLSNDKFPEYYDGNNG
RLIGKEARIYQTWSIAGLLVAKQFLANPDHVEFIS
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 chain5goq Chain B Residue 501 [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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PDB5goq Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase
Resolution2.75 Å
Binding residue
(original residue number in PDB)		F51 R53 D54 M186 D188 Y370 H371 W434
Binding residue
(residue number reindexed from 1)		F34 R36 D37 M165 D167 Y349 H350 W413
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004564 beta-fructofuranosidase activity
GO:0004575 sucrose alpha-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033926 endo-alpha-N-acetylgalactosaminidase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005987 sucrose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5goq, PDBe:5goq, PDBj:5goq
PDBsum5goq
PubMed27777307
UniProtQ8YWS9

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