Structure of PDB 1wds Chain A Binding Site BS01

Receptor Information
>1wds Chain A (length=492) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSNMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMVD
VWWGIIELKGPKQYDWRAYRSLLQLVQECGLTLQAIMSFHQCGGNVGDIV
NIPIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIEI
YSDYMKSFRENMSDFLESGLIIDIEVGLGPAGELRYPSYPQSQGWEFPGI
GEFQCYDKYLKADFKAAVARAGHPEWELPDDAGKYNDVPESTGFFKSNGT
YVTEKGKFFLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWWY
KVENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFACLEMRDSEQPS
DAKSGPQELVQQVLSGGWREDIRVAGENALPRYDATAYNQIILNARPQGV
NNNGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQK
YNHAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain1wds 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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PDB1wds Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		E186 K295 E380 A382
Binding residue
(residue number reindexed from 1)		E183 K292 E377 A379
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D101 E186 A342 E380 L383
Catalytic site (residue number reindexed from 1) D98 E183 A339 E377 L380
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:1wds, PDBe:1wds, PDBj:1wds
PDBsum1wds
PubMed15794648
UniProtP10538|AMYB_SOYBN Beta-amylase (Gene Name=BMY1)

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