Structure of PDB 5h9y Chain A Binding Site BS05

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 C 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)		T249 V251 Y393 C396
Binding residue
(residue number reindexed from 1)		T240 V242 Y384 C387
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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