Structure of PDB 6flz Chain A Binding Site BS01

Receptor Information

>6flz Chain A (length=144) Species: 4615 (Ananas comosus)

SGLVKLGLWGGNEGTLQDIDGHPTRLTKIVIRSAHAIDALQFDYVEDGKT
FAAGQWGGNGGKSDTIEFQPGEYLIAIKGTTGALGAVTNLVRSLTFISNM
RTYGPFGLEHGTPFSVPVASGRIVAFYGRFGSLVDAFGIYLMPY

Ligand information

• Ligand ID: MMA
• InChI: InChI=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
• InChIKey: HOVAGTYPODGVJG-VEIUFWFVSA-N
• SMILES:
  CACTVS 3.341: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(O)C(OC1OC)CO
  OpenEye OEToolkits 1.5.0: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
  CACTVS 3.341: CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: COC1C(C(C(C(O1)CO)O)O)O
• Formula: C7 H14 O6
• Name: methyl alpha-D-mannopyranoside;
  O1-METHYL-MANNOSE;
  methyl alpha-D-mannoside;
  methyl D-mannoside;
  methyl mannoside
• ChEMBL: CHEMBL195368
• DrugBank: DB01979
• ZINC: ZINC000004261920
• PDB chain: 6flz Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6flz Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
• Resolution: 1.895 Å
• Binding residue (original residue number in PDB): A35 H36 A37 D39 G62
• Binding residue (residue number reindexed from 1): A34 H35 A36 D38 G61
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:6flz, PDBe:6flz, PDBj:6flz
• PDBsum: 6flz
• PubMed: 30065388
• UniProt: Q53J09