Structure of PDB 4wr9 Chain A Binding Site BS01

Receptor Information
>4wr9 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
MCTRAGGNIAVPRTPEENEAIASIAKKYNNYVYLGMIDDQTEGDFHYLDG
ASVSYTNWYPGEPRGQGKEDCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain4wr9 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4wr9 Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
Resolution2.301 Å
Binding residue
(original residue number in PDB)		E195 E202 N214 D215
Binding residue
(residue number reindexed from 1)		E112 E119 N131 D132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wr9, PDBe:4wr9, PDBj:4wr9
PDBsum4wr9
PubMed28719181
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

[Back to BioLiP]