Structure of PDB 4nqq Chain C Binding Site BS01

Receptor Information
>4nqq Chain C (length=210) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPPIFVPENGKGPFPQRLNQLKSNKDRGTKIFYSITGPGADSPPEGVFTI
EKESGWLLLHMPLDREKIVKYELYGHAVSENGASVEEPMNISIIVTDQND
NKPKFTQDTFRGSVLEGVMPGTSVMQVTATDEDDAVNTYNGVVAYSIHSQ
EPKEPHDLMFTIHKSTGTISVISSGLDREKVPEYRLTVQATDMDGEGSTT
TAEAVVQILD
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 chain4nqq Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nqq Structural and energetic determinants of adhesive binding specificity in type I cadherins.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		E11 D67 E69 D103
Binding residue
(residue number reindexed from 1)		E8 D64 E66 D100
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:4nqq, PDBe:4nqq, PDBj:4nqq
PDBsum4nqq
PubMed25253890
UniProtP10287|CADH3_MOUSE Cadherin-3 (Gene Name=Cdh3)

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