Structure of PDB 5goo Chain A Binding Site BS01

Receptor Information
>5goo Chain A (length=447) 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]
SLRETESWKLLESSIIYYEGNPIGTVAAQDPELAALNYDQCFLRDFVPSA
FVFLMDGQTDIVRNFLIETLTLQSHEKEMDCFQPGAGLMPASFKVESDGS
KEYLVADFGEKAIARVPPVDSCMWWILLLRAYEKATGDLTLAREPKFQAG
IKLILDLCLAHRFSMYPTMLVPDGAFMIDRRMGVYEHPLEIQVLFYAALR
AARELLLPDGDGEQYLNKVHGRLGALQYHIRNYYWVDLKRLREIYRYKGN
EFGKEIANKFNIFSQSIPDWVIEWLPEKGGYLAGNLGPGRMDFRFFALGN
LMAILAGLASEEESQRIMNLFAHRWEDLIGYMPVKICYPALQGLEWQIVT
GCDPKNIPWSYHNGGNWPVLLWLFTAAALKTGKVELAHEAIAIAEGRLSN
DKFPEYYDGNNGRLIGKEARIYQTWSIAGLLVAKQFLANPDHVEFIS
Ligand information
Ligand IDFRU
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain5goo Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5goo Structural Analysis of the Catalytic Mechanism and Substrate Specificity of Anabaena Alkaline Invertase InvA Reveals a Novel Glucosidase.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		N46 Y47 A121 I122 D188 R189 Y370
Binding residue
(residue number reindexed from 1)		N37 Y38 A112 I113 D179 R180 Y361
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:5goo, PDBe:5goo, PDBj:5goo
PDBsum5goo
PubMed27777307
UniProtQ8YWS9

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