Structure of PDB 3q2v Chain B Binding Site BS18

Receptor Information
>3q2v Chain B (length=440) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWVIPPISCPENEKGEFPKNLVQIKSNRDKETKVFYSITGQGADKPPVGV
FIIERETGWLKVTQPLDREAIAKYILYSHAVSSNGEAVEDPMEIVITVTD
QNDNRPEFTQEVFEGSVAEGAVPGTSVMKVSATDADDDVNTYNAAIAYTI
VSQDPELPHKNMFTVNRDTGVISVLTSGLDRESYPTYTLVVQAADLQGEG
LSTTAKAVITVKDINDNAPVFNPSTYQGQVPENEVNARIATLKVTDDDAP
NTPAWKAVYTVVNDPDQQFVVVTDPTTNDGILKTAKGLDFEAKQQYILHV
RVENEEPFEGSLVPSTATVTVDVVDVNEAPIFMPAERRVEVPEDFGVGQE
ITSYTAREPDTFMDQKITYRIWRDTANWLEINPETGAIFTRAEMDREDAE
HVKNSTYVALIIATDDGSPIATGTGTLLLVLLDVDPDLPP
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 chain3q2v Chain B Residue 808 [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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PDB3q2v The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		T422 T424
Binding residue
(residue number reindexed from 1)		T422 T424
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Biological Process
GO:0007155 cell adhesion
GO:0007156 homophilic cell adhesion via plasma membrane adhesion molecules
GO:0098609 cell-cell adhesion
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3q2v, PDBe:3q2v, PDBj:3q2v
PDBsum3q2v
PubMed21300292
UniProtP09803|CADH1_MOUSE Cadherin-1 (Gene Name=Cdh1)

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