Structure of PDB 5mxc Chain A Binding Site BS04

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 405 [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)		R179 E191 Y241
Binding residue
(residue number reindexed from 1)		R179 E191 Y241
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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