Structure of PDB 1ff5 Chain B Binding Site BS02

Receptor Information
>1ff5 Chain B (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDWVIPPISCPENEKGEFPKNLVQIKSNRDKETKVFYSITGQGADKPPVG
VFIIERETGWLKVTQPLDREAIAKYILYSHAVSSNGEAVEDPMEIVITVT
DQNDNRPEFTQEVFEGSVAEGAVPGTSVMKVSATDADDDVNTYNAAIAYT
IVSQDPELPHKNMFTVNRDTGVISVLTSGLDRESYPTYTLVVQAADLQGE
GLSTTAKAVITVKDINDNA
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 chain1ff5 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ff5 A new crystal structure, Ca2+ dependence and mutational analysis reveal molecular details of E-cadherin homoassociation.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		E11 E69 D100 Q101 D103 D136
Binding residue
(residue number reindexed from 1)		E12 E70 D101 Q102 D104 D137
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:1ff5, PDBe:1ff5, PDBj:1ff5
PDBsum1ff5
PubMed10202138
UniProtP09803|CADH1_MOUSE Cadherin-1 (Gene Name=Cdh1)

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