Structure of PDB 1wdq Chain A Binding Site BS04

Receptor Information
>1wdq Chain A (length=493) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDSNMLLNYVPVYVMLPLGVVNVDNVFEDPDGLKEQLLQLRAAGVDGVMV
DVWWGIIELKGPKQYDWRAYRSLLQLVQECGLTLQAIMSFHQCGGNVGDI
VNIPIPQWVLDIGESNHDIFYTNRSGTRNKEYLTVGVDNEPIFHGRTAIE
IYSDYMKSFRENMSDFLESGLIIDIEVGLGPAGELRYPSYPQSQGWEFPG
IGEFQCYDKYLKADFKAAVARAGHPEWELPDDAGKYNDVPESTGFFKSNG
TYVTEKGKFFLTWYSNKLLNHGDQILDEANKAFLGCKVKLAIKVSGIHWW
YKVENHAAELTAGYYNLNDRDGYRPIARMLSRHHAILNFVCLEMRDSEQP
SDAKSGPQELVQQVLSGGWREDIRVAGENALPRYDATAYNQIILNARPQG
VNNNGPPKLSMFGVTYLRLSDDLLQKSNFNIFKKFVLKMHADQDYCANPQ
KYNHAITPLKPSAPKIPIEVLLEATKPTLPFPWLPETDMKVDG
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 chain1wdq Chain C Residue 2 [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]
PDB1wdq Structural analysis of threonine 342 mutants of soybean beta-amylase: role of a conformational change of the inner loop in the catalytic mechanism.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		E186 R188 Y192 S297 G298 V342 C343
Binding residue
(residue number reindexed from 1)		E184 R186 Y190 S295 G296 V340 C341
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D101 E186 V342 E380 L383
Catalytic site (residue number reindexed from 1) D99 E184 V340 E378 L381
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:1wdq, PDBe:1wdq, PDBj:1wdq
PDBsum1wdq
PubMed15794648
UniProtP10538|AMYB_SOYBN Beta-amylase (Gene Name=BMY1)

[Back to BioLiP]