Structure of PDB 4wrf Chain A Binding Site BS01

Receptor Information
>4wrf 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
SYTNWYPGEPNGQGKEDCVEMYTDGTWNDRGCLQYRLAVCEF
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 chain4wrf Chain A Residue 401 [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]
PDB4wrf Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
Resolution1.901 Å
Binding residue
(original residue number in PDB)		E195 N197 E202 N214 D215
Binding residue
(residue number reindexed from 1)		E109 N111 E116 N128 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4wrf, PDBe:4wrf, PDBj:4wrf
PDBsum4wrf
PubMed28719181
UniProtP08427|SFTPA_RAT Pulmonary surfactant-associated protein A (Gene Name=Sftpa1)

[Back to BioLiP]