Structure of PDB 5iry Chain A Binding Site BS01

Receptor Information
>5iry Chain A (length=539) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RWAPIPASLMENSLGPFPQHVQQIQSDAAQNYTIFYSISGPGVDKEPFNL
FYIEKDTGDIFCTRSIDREKYEQFALYGYATTADGYAPEYPLPLIIKIED
DNDNAPYFEHRVTIFTVPENCRSGTSVGKVTATDLDEPDTLHTRLKYKIL
QQIPDHPKHFSIHPDTGVITTTTPFLDREKCDTYQLIMEVRDMGGQPFGL
FNTGTITISLEDENDNPPSFTETSYVTEVEENRIDVEILRMKVQDQDLPN
TPHSKAVYKILQGNENGNFIISTDPNTNEGVLCVVKPLNYEVNRQVILQV
GVINEAQFSKAASSQTPTMCTTTVTVKIIDSDEGPECHPPVKVIQSQDGF
PAGQELLGYKALDPEISSGEGLRYQKLGDEDNWFEINQHTGDLRTLKVLD
RESKFVKNNQYNISVVAVDAVGRSCTGTLVVHLDDYNDHAPQIDKEVTIC
QNNEDFAVLKPVDPDGPENGPPFQFFLDNSASKNWNIEEKDGKTAILRQR
QNLDYNYYSVPIQIKDRHGLVATHMLTVRVCDCSTPSEC
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 chain5iry Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5iry Structural basis of adhesive binding by desmocollins and desmogleins.
Resolution3.095 Å
Binding residue
(original residue number in PDB)		E11 D67 E69 D103
Binding residue
(residue number reindexed from 1)		E11 D67 E69 D103
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:5iry, PDBe:5iry, PDBj:5iry
PDBsum5iry
PubMed27298358
UniProtQ08554|DSC1_HUMAN Desmocollin-1 (Gene Name=DSC1)

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