Structure of PDB 1xxr Chain D Binding Site BS01

Receptor Information
>1xxr Chain D (length=154) Species: 85232 (Morus nigra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQTTGTSQTIEVGLWGGPGGNAWDDGSYTGIREINLSHGDAIGAFSVIYD
LNGQPFTGPTHPGNEPSFKTVKITLDFPNEFLVSVSGYTGVLARLATGKD
VIRSLTFKTNKKTYGPYGKEEGTPFSLPIENGLIVGFKGRSGFVVDAIGF
HLSL
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 chain1xxr Chain D Residue 727 [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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PDB1xxr Structural analysis of the jacalin-related lectin MornigaM from the black mulberry (Morus nigra) in complex with mannose
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G26 G27 G149 F150 V151 D153
Binding residue
(residue number reindexed from 1)		G19 G20 G142 F143 V144 D146
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1xxr, PDBe:1xxr, PDBj:1xxr
PDBsum1xxr
PubMed16008570
UniProtQ8LGR3

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