Structure of PDB 4wrc Chain A Binding Site BS01

Receptor Information
>4wrc Chain A (length=140) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELYEIKHQILQTMGVLSLQGSMLSVGDKVFSTNGQSVNFDTIKEMCTRA
GGNIAVPRTPEENEAIASIAKKYNNYVYLGMIDDQTEGDFHYLDGASVSY
TNWYPGEPNGQGKEDCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain4wrc Chain A Residue 502 [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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PDB4wrc Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
Resolution1.8 Å
Binding residue
(original residue number in PDB)		E195 N197 E202 N214 D215
Binding residue
(residue number reindexed from 1)		E107 N109 E114 N126 D127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wrc, PDBe:4wrc, PDBj:4wrc
PDBsum4wrc
PubMed28719181
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

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