Structure of PDB 1bwu Chain D Binding Site BS03

Receptor Information
>1bwu Chain D (length=109) Species: 4682 (Allium sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNILTNDEGLYGGQSLDVNPYHLIMQEDCNLVLYDHSTAVWSSNTDIPGK
KGCKAVLQSDGNFVVYDAEGASLWASHSVRGNGNYVLVLQEDGNVVIYRS
DIWSTNTYR
Ligand information
Ligand IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1bwu Chain D Residue 304 [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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PDB1bwu Crystal structure of a dimeric mannose-specific agglutinin from garlic: quaternary association and carbohydrate specificity.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Q90 D92 N94 V96 Y98
Binding residue
(residue number reindexed from 1)		Q90 D92 N94 V96 Y98
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links