Structure of PDB 5fsc Chain A Binding Site BS03
Receptor Information
>5fsc Chain A (length=226) Species:
486041
(Laccaria bicolor S238N-H82) [
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PWKGISGSLSRISAGSVTNVWGVNAANNIYRYTGDDAKPWVQIPGALTDI
GAAADGTVWGVNAAGNIYRYVWDSNHWTQIKGALKRISAGSRTNVWGVNA
GGAIYRYTGDDANPWVQIPGVLSDIGAGADGTVWGVNAAGEIYRYTGDQG
DPNHWVKIPGALSAISAGIKTNVWGVNSANNIYTSTGDDKNPWLGIGGSL
VDIGAGTDGVVWGVNAGGGIYRWIRD
Ligand information
Ligand ID
G8Z
InChI
InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1
InChIKey
VOIKDSWIMJSKCR-SPFKKGSWSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
COC1C(OC(C(C1O)O)OCC=C)CO
OpenEye OEToolkits 1.7.6
CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO
CACTVS 3.385
CO[C@H]1[C@H](O)[C@H](O)[C@@H](OCC=C)O[C@@H]1CO
CACTVS 3.385
CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO
Formula
C10 H18 O6
Name
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside;
Allyl-Alpha-4-Methyl-Mannoside;
prop-2-en-1-yl 4-O-methyl-alpha-D-mannoside;
prop-2-en-1-yl 4-O-methyl-D-mannoside;
prop-2-en-1-yl 4-O-methyl-mannoside
ChEMBL
CHEMBL3798866
DrugBank
ZINC
ZINC000653851576
PDB chain
5fsc Chain A Residue 304 [
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Receptor-Ligand Complex Structure
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PDB
5fsc
Crystal Structures of Fungal Tectonin in Complex with O-Methylated Glycans Suggest Key Role in Innate Immune Defense.
Resolution
1.95 Å
Binding residue
(original residue number in PDB)
G161 A162 N178 Y184
Binding residue
(residue number reindexed from 1)
G160 A161 N177 Y183
Annotation score
1
Binding affinity
PDBbind-CN
: -logKd/Ki=2.36,Kd=4.4mM
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5fsc
,
PDBe:5fsc
,
PDBj:5fsc
PDBsum
5fsc
PubMed
29398527
UniProt
B0CZL6
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