Structure of PDB 1r13 Chain A Binding Site BS01

Receptor Information
>1r13 Chain A (length=145) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEELQTELYEIKHQILQTMGVLSLQGSMLSVGDKVFSTNGQSVNFDTIKE
MCTRAGGNIAVPRTPEENEAIASIAKKYNNYVYLGMIEDQTPGDFHYLDG
ASVSYTNWYPGEPRGQGKEKCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain1r13 Chain A Residue 300 [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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PDB1r13 Crystal structure of trimeric carbohydrate recognition and neck domains of surfactant protein A
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E195 R197 N214 D215
Binding residue
(residue number reindexed from 1)		E112 R114 N131 D132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1r13, PDBe:1r13, PDBj:1r13
PDBsum1r13
PubMed12913002
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

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