Structure of PDB 6fly Chain A Binding Site BS02

Receptor Information
>6fly Chain A (length=144) Species: 4615 (Ananas comosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLVKLGLWGGNEGTLQDIDGHPTRLTKIVIRSAHAIDALQFDYVEDGKT
FAAGQWGGNGGKSDTIEFQPGEYLIAIKGTTGALGAVTNLVRSLTFISNM
RTYGPFGLEHGTPFSVPVASGRIVAFYGRFGSLVDAFGIYLMPY
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 chain6fly Chain A Residue 202 [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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PDB6fly Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Resolution2.749 Å
Binding residue
(original residue number in PDB)		A35 H36 A37 D39 G61 G62
Binding residue
(residue number reindexed from 1)		A34 H35 A36 D38 G60 G61
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:6fly, PDBe:6fly, PDBj:6fly
PDBsum6fly
PubMed30065388
UniProtQ53J09

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