Structure of PDB 4wux Chain A Binding Site BS05

Receptor Information
>4wux 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
RAGGNIAVPRTPEENEAIASIAKKYNNYVYLGMIDDQTEGDFHYLDGASV
SYTNWYPGEPRGQGKEDCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain4wux Chain A Residue 305 [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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PDB4wux Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D171 Q199 D215
Binding residue
(residue number reindexed from 1)		D85 Q113 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wux, PDBe:4wux, PDBj:4wux
PDBsum4wux
PubMed28719181
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

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