Structure of PDB 8ton Chain A Binding Site BS01

Receptor Information
>8ton Chain A (length=224) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDLGPMFLPCVLVPNTRDCRPLTYQAAIPELRTPEELNPILVTPPIQAID
QDPGILYSILVGTPEDYPRFFHMHPRTAELTLLEPVNRDFHQKFDLVIKA
EQDNGHPLPAFASLHIEILDENNQAPVFDPYLPRNLSVVEEEANAFVGQV
RATDPDAGINGQVHYSLGNFNNLFRITSNGSIYTAVKLNREARDHYELVV
VATDGAVHPRHSTLTLYIKVLDID
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 chain8ton Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ton Crystal Structure of Engineered Mouse Protocadherin-15 EC3-EC7 Connection
Resolution1.94 Å
Binding residue
(original residue number in PDB)		N136 Q138 D168 D170 N174 D218
Binding residue
(residue number reindexed from 1)		N122 Q124 D154 D156 N160 D204
Annotation score4
External links
PDB RCSB:8ton, PDBe:8ton, PDBj:8ton
PDBsum8ton
PubMed
UniProtQ99PJ1|PCD15_MOUSE Protocadherin-15 (Gene Name=Pcdh15)

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