Structure of PDB 5iry Chain B Binding Site BS09

Receptor Information
>5iry Chain B (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 B Residue 609 [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 E69 D100 D101 D103 D136
Binding residue
(residue number reindexed from 1)		E11 E69 D100 D101 D103 D136
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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