Structure of PDB 5ffr Chain A Binding Site BS01

Receptor Information
>5ffr Chain A (length=142) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQTELYEIKHQILQTMGVLSLQGSMLSVGDKVFSTNGQSVNFDTIKEMCT
RAGGNIAVPRTPEENEAIASIAKKYNNYVYLGMIEDQTPGDFHYLDGASV
SYTNWYPGEPRGQGKEKCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain5ffr Chain A Residue 301 [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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PDB5ffr Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E195 E202 N214 D215
Binding residue
(residue number reindexed from 1)		E109 E116 N128 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ffr, PDBe:5ffr, PDBj:5ffr
PDBsum5ffr
PubMed27324153
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

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