Structure of PDB 5j5j Chain A Binding Site BS09

Receptor Information
>5j5j Chain A (length=552) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RWAPIPCSMLENSLGPFPLFLQQVQSDTAQNYTIYYSIRGPGVDQEPRNL
FYVERDTGNLYCTRPVDREQYESFEIIAFATTPDGYTPELPLPLIIKIED
INDNEPVFTQDVFVGSVEELSAAHTLVMKINATDADEPNTLNSKISYRIV
SLEPAYPPVFYLNKDTGEIYTTSVTLDREEHSSYTLTVEARDGNGEVTDK
PVKQAQVQIRILDVNDNIPVVENKVLEGMVEENQVNVEVTRIKVFDADEI
GSDNWLANFTFASGNEGGYFHIETDAQTNEGIVTLIKEVDYEEMKNLDFS
VIVANKAAFHKSIRSKYKPTPIPIKVKVKNVKEGIHFKSSVISIYVSESM
DRSSKGQIIGNFQAFDEDTGLPAHARYVKLEDRDNWISVDSVTSEIKLAK
LPDFESRYVQNGTYTVKIVAISEDYPRKTITGTVLINVEDINDNCPTLIE
PVQTICHDAEYVNVTAEDLDGHPNSGPFSFSVIDKPPGMAEKWKIARQES
TSVLLQQSEKKLGRSEIQFLISDNQGFSCPEKQVLTLTVCECLHGSGCRE
AH
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 chain5j5j Chain A Residue 627 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j5j Structural basis of adhesive binding by desmocollins and desmogleins.
Resolution3.29 Å
Binding residue
(original residue number in PDB)		N215 N217 D246 D248 N254 N305
Binding residue
(residue number reindexed from 1)		N215 N217 D246 D248 N254 N305
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
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:5j5j, PDBe:5j5j, PDBj:5j5j
PDBsum5j5j
PubMed27298358
UniProtQ02487|DSC2_HUMAN Desmocollin-2 (Gene Name=DSC2);
Q14126|DSG2_HUMAN Desmoglein-2 (Gene Name=DSG2)

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