Structure of PDB 3q2w Chain A Binding Site BS12

Receptor Information
>3q2w Chain A (length=541) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWVIPPINLPENSRGPFPQELVRIRSDRDKNLSLRYSVTGPGADQPPTGI
FIINPISGQLSVTKPLDRELIARFHLRAHAVDINGNQVENPIDIVINVID
MNDNRPEFLHQVWNGSVPEGSKPGTYVMTVTAIDADDPNALNGMLRYRIL
SQAPSTPSPNMFTINNETGDIITVAAGLDREKVQQYTLIIQATDMEGNPT
YGLSNTATAVITVTDVNDNPPEFTAMTFYGEVPENRVDVIVANLTVTDKD
QPHTPAWNAAYRISGGDPTGRFAILTDPNSNDGLVTVVKPIDFETNRMFV
LTVAAENQVPLAKGIQHPPQSTATVSVTVIDVNENPYFAPNPKIIRQEEG
LHAGTMLTTLTAQDPDRYMQQNIRYTKLSDPANWLKIDPVNGQITTIAVL
DRESPNVKNNIYNATFLASDNGIPPMSGTGTLQIYLLDINDNAPQVLPQE
AETCETPEPNSINITALDYDIDPNAGPFAFDLPLSPVTIKRNWTINRLNG
DFAQLNLKIKFEAGIYEVPIIITDSGNPPKSNISILRVKVC
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 chain3q2w Chain A Residue 612 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3q2w The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Resolution3.2 Å
Binding residue
(original residue number in PDB)
N440 N442 D468 D470 D525
Binding residue
(residue number reindexed from 1)
N440 N442 D468 D470 D524
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:3q2w, PDBe:3q2w, PDBj:3q2w
PDBsum3q2w
PubMed21300292
UniProtP15116|CADH2_MOUSE Cadherin-2 (Gene Name=Cdh2)

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