Structure of PDB 6xqm Chain A Binding Site BS02

Receptor Information
>6xqm Chain A (length=263) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEGVTAPGNEPMAIPSDYKLVWADEFNTPGAPDAKKWRYDTSRNKEGWYN
NELQYYAAGRPENVRVENGNLVIETRKERLTSMADYGGQEYSSGKLFTQG
LADWQYGYVEVRAKLACGKGMWPAIWMMASDGSTGWPALGSIDIMEMVAW
DPTTIHGTIHTKAYNHVIHTQKGSRTTAADPCGQFHTYSLDWTKDRMLIG
VDGHAYMRFDNDHKGNHDTWPFDSPQYLILNVAIGGWGGQQGVDAAAFPS
KMEVDYVRVYQKR
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 chain6xqm 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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PDB6xqm Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y52 N53 M131 W139 H169
Binding residue
(residue number reindexed from 1)		Y49 N50 M128 W136 H166
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:6xqm, PDBe:6xqm, PDBj:6xqm
PDBsum6xqm
PubMed33556371
UniProtA0A0B5H9B3

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