Structure of PDB 1btc Chain A Binding Site BS01

Receptor Information
>1btc Chain A (length=491) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMVDV
WWGIIELKGPKQYDWRAYRSLFQLVQECGLTLQAIMSFHQCGGNVGDIVN
IPIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIEIY
SDYMKSFRENMSDFLESGLIIDIEVGLGPAGELRYPSYPQSQGWEFPRIG
EFQCYDKYLKADFKAAVARAGHPEWELPDDAGKYNDVPESTGFFKSNGTY
VTEKGKFFLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWWYK
VENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFTCLEMRDSEQPSD
AKSGPQELVQQVLSGGWREDIRVAGENALPRYDATAYNQIILNAKPQGVN
NNGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQKY
NHAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG
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 chain1btc Chain B Residue 4 [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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PDB1btc The 2.0-A resolution structure of soybean beta-amylase complexed with alpha-cyclodextrin.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F200 H300 M346
Binding residue
(residue number reindexed from 1)		F196 H296 M342
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D101 E186 T342 E380 L383
Catalytic site (residue number reindexed from 1) D97 E182 T338 E376 L379
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:1btc, PDBe:1btc, PDBj:1btc
PDBsum1btc
PubMed8334116
UniProtP10538|AMYB_SOYBN Beta-amylase (Gene Name=BMY1)

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