Structure of PDB 5wqu Chain A Binding Site BS01

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 1 [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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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)		D54 W56 H94 R422
Binding residue
(residue number reindexed from 1)		D54 W56 H94 R422
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)

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