Structure of PDB 2r1d Chain D Binding Site BS01

Receptor Information
>2r1d Chain D (length=179) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHAGTTYIFSKGGGQITYKWPPNDRPSTRADRLAIGFSTVQKEAVLVRVD
SSSGLGDYLELHIHQGKIGVKFNVGTDDIAIEESNAIINDGKYHVVRFTR
SGGNATLQVDSWPVIERYPAGRQLTIFNSQATIIIGGKEQGQPFQGQLSG
LYYNGLKVLNMAAENDANIAIVGNVRLVG
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 chain2r1d Chain D Residue 2000 [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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PDB2r1d Regulation of Neurexin 1beta Tertiary Structure and Ligand Binding through Alternative Splicing
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D91 V108 I160 N162
Binding residue
(residue number reindexed from 1)		D57 V74 I126 N128
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2r1d, PDBe:2r1d, PDBj:2r1d
PDBsum2r1d
PubMed18334217
UniProtQ63373|NRX1B_RAT Neurexin-1-beta (Gene Name=Nrxn1)

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