Structure of PDB 3mit Chain B Binding Site BS01

Receptor Information
>3mit Chain B (length=140) Species: 4641 (Musa acuminata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGAIKVGAWGGNGGSAFDMGPAYRIISVKIFSGDVVDAVDVTFTYYGKTE
TRHFGGSGGTPHEIVLQEGEYLVGMKGEFGNYHGVVVVGKLGFSTNKKSY
GPFGNTGGTPFSLPIAAGKISGFFGRGGDFIDAIGVYLEP
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 chain3mit Chain B Residue 802 [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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PDB3mit 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
Resolution2.32 Å
Binding residue
(original residue number in PDB)		G34 D35 V36 D38 G60
Binding residue
(residue number reindexed from 1)		G33 D34 V35 D37 G59
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3mit, PDBe:3mit, PDBj:3mit
PDBsum3mit
PubMed20729346
UniProtQ8L5H4

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