Structure of PDB 3q2v Chain A Binding Site BS04

Receptor Information
>3q2v Chain A (length=532) 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
HVKNSTYVALIIATDDGSPIATGTGTLLLVLLDVNDNAPIPEPRNMQFCQ
RNPQPHIITILDPDLPPNTSPFTAELTHGASVNWTIEYNDAAQESLILQP
RKDEYKIHLKLADNQNKDQVTTLDVHVCDCEG
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 A Residue 604 [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)		E119 D180 D216
Binding residue
(residue number reindexed from 1)		E119 D180 D216
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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