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BioLiP

Structure of PDB 1msa Chain B Binding Site BS03

Receptor Information
>1msa Chain B (length=109) Species: 4670 (Galanthus nivalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNILYSGETLSTGEFLNYGSFVFIMQEDCNLVLYDVDKPIWATNTGGLSR
SCFLSMQTDGNLVVYNPSNKPIWASNTGGQNGNYVCILQKDRNVVIYGTD
RWATGTHTG
Ligand information
Ligand IDMMA
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-VEIUFWFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside
ChEMBLCHEMBL195368
DrugBankDB01979
ZINCZINC000004261920
PDB chain1msa Chain B Residue 112 [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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PDB1msa Structure of mannose-specific snowdrop (Galanthus nivalis) lectin is representative of a new plant lectin family.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		Q26 D28 N30 V32 Y34
Binding residue
(residue number reindexed from 1)		Q26 D28 N30 V32 Y34
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1msa, PDBe:1msa, PDBj:1msa
PDBsum1msa
PubMed7664110
UniProtP30617|LEC_GALNI Mannose-specific lectin

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