Structure of PDB 3bod Chain A Binding Site BS01

Receptor Information
>3bod Chain A (length=178) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLGSTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEAVLVRVD
SSSGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYHVVRFTR
SGGNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPFQGQLSG
LYYNGLKVLNMAAENDANIAIVGNVRLV
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 chain3bod Chain A Residue 1 [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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PDB3bod Crystal Structures of beta-Neurexin 1 and beta-Neurexin 2 Ectodomains and Dynamics of Splice Insertion Sequence 4.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D137 V154 I206 N208
Binding residue
(residue number reindexed from 1)		D57 V74 I126 N128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3bod, PDBe:3bod, PDBj:3bod
PDBsum3bod
PubMed18334216
UniProtQ9CS84|NRX1A_MOUSE Neurexin-1 (Gene Name=Nrxn1)

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