Structure of PDB 6bx7 Chain A Binding Site BS06

Receptor Information
>6bx7 Chain A (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVYKVPEEQPPNTLIGSLAADLYKLEVGAPYLRVDGKTGDIFTTETSIDR
EGLRECQNQLPGDPCILEFEVSITDLVQNGSPRLLEGQIEVQDINDNTPN
FASPVITLAIPENTNIGSLFPIPLASDRDAGPNGVASYELQAGPEAQELF
GLQVAEDQEEKQPQLIVMGNLDRERWDSYDLTIKVQDGGSPPRASSALLR
VTVLDTNDNAPKFERPSYEAELSENSPIGHSVIQVKANDSDQGANAEIEY
TFHQAPEVVRRLLRLDRNTGLITVQGPVDREDLSTLRFSVLAKDRGTNPK
SARAQVVVTVKDMNDNAPTIEIRGIGLVTHQDGMANISEDVAEETAVALV
QVSDRDEGENAAVTCVVAGDVPFQLRQASDSKKKYFLQTTTPLDYEKVKD
YTIEIVAVDSGNPPLSSTNSLKVQVVDVN
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 chain6bx7 Chain A Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bx7 Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		N217 N219 D249 D251 N255 D304
Binding residue
(residue number reindexed from 1)		N207 N209 D239 D241 N245 D294
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bx7, PDBe:6bx7, PDBj:6bx7
PDBsum6bx7
PubMed31583286
UniProtQ08174|PCDH1_HUMAN Protocadherin-1 (Gene Name=PCDH1)

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