Structure of PDB 1bgg Chain B Binding Site BS01
Receptor Information
>1bgg Chain B (length=447) Species:
1406
(Paenibacillus polymyxa) [
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TIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNG
NVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYY
HRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMF
REFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAH
GLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFL
QPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVN
RFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYIT
ENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLL
DNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR
Ligand information
Ligand ID
GCO
InChI
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey
RGHNJXZEOKUKBD-SQOUGZDYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.341
OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
CACTVS 3.341
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04
O=C(O)C(O)C(O)C(O)C(O)CO
Formula
C6 H12 O7
Name
D-gluconic acid;
GLUCONIC ACID
ChEMBL
CHEMBL464345
DrugBank
DB13180
ZINC
ZINC000001531008
PDB chain
1bgg Chain B Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
1bgg
Crystal structure of beta-glucosidase A from Bacillus polymyxa: insights into the catalytic activity in family 1 glycosyl hydrolases.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Q20 H121 W122 N165 E166 Y296 E352 W398 E405 W406
Binding residue
(residue number reindexed from 1)
Q19 H120 W121 N164 E165 Y295 E351 W397 E404 W405
Annotation score
3
Enzymatic activity
Catalytic site (original residue number in PDB)
R77 H121 E166 C169 N294 Y296 E352
Catalytic site (residue number reindexed from 1)
R76 H120 E165 C168 N293 Y295 E351
Enzyme Commision number
3.2.1.21
: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553
hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422
beta-glucosidase activity
GO:0016798
hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975
carbohydrate metabolic process
GO:0016052
carbohydrate catabolic process
GO:0030245
cellulose catabolic process
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bgg
,
PDBe:1bgg
,
PDBj:1bgg
PDBsum
1bgg
PubMed
9466926
UniProt
P22073
|BGLA_PAEPO Beta-glucosidase A (Gene Name=bglA)
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