Structure of PDB 3biw Chain G Binding Site BS01

Receptor Information
>3biw Chain G (length=177) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAGTTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEAVLVRVDS
SSGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYHVVRFTRS
GGNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPFQGQLSGL
YYNGLKVLNMAAENDANIAIVGNVRLV
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 chain3biw Chain G Residue 401 [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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PDB3biw Structures of Neuroligin-1 and the Neuroligin-1/Neurexin-1beta Complex Reveal Specific Protein-Protein and Protein-Ca(2+) Interactions.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		D137 V154 I236 N238
Binding residue
(residue number reindexed from 1)		D56 V73 I125 N127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3biw, PDBe:3biw, PDBj:3biw
PDBsum3biw
PubMed18093522
UniProtQ63372|NRX1A_RAT Neurexin-1 (Gene Name=Nrxn1)

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