Structure of PDB 5h9y Chain A Binding Site BS02

Receptor Information
>5h9y Chain A (length=412) Species: 343517 (Paenibacillus barengoltzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFTQGADVSGNNVTLWFKSSVNTTWVDVHYKVNSGVQQNVRMSFNAGAA
RFEHTILTAAQAEIEYFFTYNNGVPAYDTTTFTYRTNSIYSIPASSIPQP
SEGGVSLKVMNGTGGAYTDDQIYWGVIGINPVNGKWSYLDLAGRLLPISS
DLNNAPGHLTKDGINYANIYHKISDANWVNLPKIESGRLFLSVGSPLYMK
TFDDGFAGPDLNNPTDPNLNIIFDFVAFTVDKDGYHGNTTRVDQFGFPIQ
HRLVNLAGNYDRTVGELESETRSGLFAKYVNEVPYEFKSLGTLQAPYRIL
SPMKGPFQEGGAYENYFAGYSSISTQDILLGVGEASNPEVCAALNRHVYT
EPDNWNRVDQYYQAAPANYYAKFWHDHSIDGLAYGFCYDDVNGQAAYLEV
GDPKGLIVRVGW
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 chain5h9y Chain B Residue 3 [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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PDB5h9y The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Resolution1.969 Å
Binding residue
(original residue number in PDB)		S195 G196 R197 A236 F237
Binding residue
(residue number reindexed from 1)		S186 G187 R188 A227 F228
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity

View graph for
Molecular Function
External links
PDB RCSB:5h9y, PDBe:5h9y, PDBj:5h9y
PDBsum5h9y
PubMed28787048
UniProtA0A1S4NYE2

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