Structure of PDB 6xqh Chain A Binding Site BS02

Receptor Information
>6xqh Chain A (length=260) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTAPGNEPMAIPSDYKLVWADEFNTPGAPDAKKWRYDTSRNKEGWYNNEL
QYYAAGRPENVRVENGNLVIETRKERLTSMADYGGQEYSSGKLFTQGLAD
WQYGYVEVRAKLACGKGMWPAIWMMASDGSTGWPALGSIDIMEMVAWDPT
TIHGTIHTKAYNHVIHTQKGSRTTAADPCGQFHTYSLDWTKDRMLIGVDG
HAYMRFDNDHKGNHDTWPFDSPQYLILNVAIGGWGGQQGVDAAAFPSKME
VDYVRVYQKR
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 chain6xqh Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xqh Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		N53 W139 H169
Binding residue
(residue number reindexed from 1)		N47 W133 H163
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.39: glucan endo-1,3-beta-D-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042973 glucan endo-1,3-beta-D-glucosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6xqh, PDBe:6xqh, PDBj:6xqh
PDBsum6xqh
PubMed33556371
UniProtA0A0B5H9B3

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