Structure of PDB 5mxc Chain A Binding Site BS02

Receptor Information
>5mxc Chain A (length=313) Species: 5188 (Aleuria aurantia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTEFLYTSKIAAISWAATGGRQQRVYFQDLNGKIREAQRGGDNPWTGGSS
QNVIGEAKLFSPLAAVTWKSAQGIQIRVYCVNKDNILSEFVYDGSKWITG
QLGSVGVKVGSNSKLAALQWGGSESAPPNIRVYYQKSNGSGSSIHEYVWS
GKWTAGASFGSTVPGTGIGATAIGPGRLRIYYQATDNKIREHCWDSNSWY
VGGFSASASAGVSIAAISWGSTPQIRVYWQKGREELYEAAYGGSWNTPGQ
IKDASRPTPSLPDTFIAANSSGNIDISVFFQASGVSLQQWQWISGKGWSI
GAVVPTGTPAGWL
Ligand information
Ligand IDMFU
InChIInChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
InChIKeyOHWCAVRRXKJCRB-CXNFULCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC7 H14 O5
Namemethyl alpha-L-fucopyranoside;
ALPHA-L-METHYL-FUCOSE;
methyl 6-deoxy-alpha-L-galactopyranoside;
methyl alpha-L-fucoside;
methyl L-fucoside;
methyl fucoside
ChEMBLCHEMBL1234282
DrugBankDB03879
ZINCZINC000002509839
PDB chain5mxc Chain A Residue 403 [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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PDB5mxc Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL.
Resolution1.14 Å
Binding residue
(original residue number in PDB)		R77 E89 Q101 W149 W153
Binding residue
(residue number reindexed from 1)		R77 E89 Q101 W149 W153
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0042806 fucose binding
Biological Process
GO:0030582 reproductive fruiting body development
GO:0050832 defense response to fungus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5mxc, PDBe:5mxc, PDBj:5mxc
PDBsum5mxc
PubMed29232414
UniProtP18891|LECF_ALEAU Fucose-specific lectin

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