Structure of PDB 3miu Chain B Binding Site BS02

Receptor Information

>3miu Chain B (length=140) Species: 4641 (Musa acuminata)

NGAIKVGAWGGNGGSAFDMGPAYRIISVKIFSGDVVDAVDVTFTYYGKTE
TRHFGGSGGTPHEIVLQEGEYLVGMKGEFGNYHGVVVVGKLGFSTNKKSY
GPFGNTGGTPFSLPIAAGKISGFFGRGGDFIDAIGVYLEP

Ligand information

• Ligand ID: MAN
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 3miu Chain B Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3miu Influence of glycosidic linkage on the nature of carbohydrate binding in beta-prism I fold lectins: an X-ray and molecular dynamics investigation on banana lectin-carbohydrate complexes
• Resolution: 2.63 Å
• Binding residue (original residue number in PDB): G14 G15 V86 G129 D130 F131 D133
• Binding residue (residue number reindexed from 1): G13 G14 V85 G128 D129 F130 D132
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3miu, PDBe:3miu, PDBj:3miu
• PDBsum: 3miu
• PubMed: 20729346
• UniProt: Q8L5H4