Structure of PDB 2r16 Chain A Binding Site BS01

Receptor Information
>2r16 Chain A (length=175) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATVLSYDGSMFMKIQLPVVMHTEAEDVSLRFRSQRAYGILMATTSRDSAD
TLRLELDAGRVKLTVNLGKGPETLFAGYNLNDNEWHTVRVVRRGKSLKLT
VDDQQAMTGQMAGDHTRLEFHNIETGIITERRYLSSVPSNFIGHLQSLTF
NGMAYIDLCKNGDIDYCELNARFGF
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 chain2r16 Chain A Residue 1000 [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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PDB2r16 Regulation of Neurexin 1beta Tertiary Structure and Ligand Binding through Alternative Splicing
Resolution1.04 Å
Binding residue
(original residue number in PDB)		D772 L789 R848
Binding residue
(residue number reindexed from 1)		D50 L67 R117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2r16, PDBe:2r16, PDBj:2r16
PDBsum2r16
PubMed18334217
UniProtQ28146|NRX1A_BOVIN Neurexin-1 (Gene Name=NRXN1)

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