Structure of PDB 3q2v Chain B Binding Site BS09

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3q2v Chain B Residue 609 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		N327 E328 P330 E358 D360 Q365 D415
Binding residue
(residue number reindexed from 1)		N327 E328 P330 E358 D360 Q365 D415
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

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Molecular Function
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Biological Process
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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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