Structure of PDB 1dbn Chain B Binding Site BS02

Receptor Information
>1dbn Chain B (length=239) Species: 37501 (Maackia amurensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDELSFTINNFVPNEADLLFQGEASVSSTGVLQLTKVENGQPQKYSVGRA
LYAAPVRIWGNTTGSVASFSTSFTFVVKAPNPDITSDGLAFYLAPPDSQI
PSGSVSKYLGLFNNSNSDSSNQIVAVEFDTYFAHSYDPWDPNYRHIGIDV
NGIESIKTVQWDWINGGVAFATITYLAPNKTLIASLVYPSNQTTFSVAAS
VDLKEILPEWVRVGFSAATGYPTEVETHDVLSWSFTSTL
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain1dbn Chain D Residue 2 [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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PDB1dbn An unusual carbohydrate binding site revealed by the structures of two Maackia amurensis lectins complexed with sialic acid-containing oligosaccharides.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y45 D87 K107 Y131 Y136 D137
Binding residue
(residue number reindexed from 1)		Y45 D87 K107 Y131 Y136 D137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1dbn, PDBe:1dbn, PDBj:1dbn
PDBsum1dbn
PubMed10747930
UniProtP93248|MALB_MAAAM Bark leucoagglutinin (Fragment) (Gene Name=MAL)

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