Structure of PDB 7mg9 Chain A Binding Site BS03

Receptor Information
>7mg9 Chain A (length=231) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKTNALHFMFNQFSKDQKDLILQGDATTGTDGNLEL
TRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHP
ADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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 chain7mg9 Chain A Residue 303 [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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PDB7mg9 Redefining Protein Interfaces within Protein Single Crystals with DNA.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Y12 G98 L99 Y100 A207 D208 G227 R228
Binding residue
(residue number reindexed from 1)		Y12 G98 L99 Y100 A201 D202 G221 R222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:7mg9, PDBe:7mg9, PDBj:7mg9
PDBsum7mg9
PubMed34096291
UniProtP02866|CONA_CANEN Concanavalin-A

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