Structure of PDB 5wqu Chain A Binding Site BS03

Receptor Information
>5wqu Chain A (length=494) Species: 4120 (Ipomoea batatas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APIPGVMPIGNYVSLYVMLPLGVVNADNVFPDKEKVEDELKQVKAGGCDG
VMVDVWWGIIEAKGPKQYDWSAYRELFQLVKKCGLKIQAIMSFHQCGGNV
GDAVFIPIPQWILQIGDKNPDIFYTNRAGNRNQEYLSLGVDNQRLFQGRT
ALEMYRDFMESFRDNMADFLKAGDIVDIEVGCGAAGELRYPSYPETQGWV
FPGIGEFQCYDKYMVADWKEAVKQAGNADWEMPGKGAGTYNDTPDKTEFF
RPNGTYKTDMGKFFLTWYSNKLIIHGDQVLEEANKVFVGLRVNIAAKVSG
IHWWYNHVSHAAELTAGFYNVAGRDGYRPIARMLARHHATLNFTCLEMRD
SEQPAEAKSAPQELVQQVLSSGWKEYIDVAGENALPRYDATAYNQMLLNV
RPNGVNLNGPPKLKMSGLTYLRLSDDLLQTDNFELFKKFVKKMHADLDPS
SPAVLERSNSAITIDELMEATKGSRPFPWYDVTDMPVDGSNPFD
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 chain5wqu Chain B Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5wqu Structural insights on starch hydrolysis by plant beta-amylase and its evolutionary relationship with bacterial enzymes
Resolution2.49 Å
Binding residue
(original residue number in PDB)		E187 Y193 G300 T344 C345
Binding residue
(residue number reindexed from 1)		E187 Y193 G300 T344 C345
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.2: beta-amylase.
Gene Ontology
Molecular Function
GO:0016161 beta-amylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5wqu, PDBe:5wqu, PDBj:5wqu
PDBsum5wqu
PubMed29481953
UniProtP10537|AMYB_IPOBA Beta-amylase (Gene Name=BMY1)

[Back to BioLiP]