Structure of PDB 4m17 Chain B Binding Site BS03

Receptor Information
>4m17 Chain B (length=142) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPFTEAQLLCTQ
AGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKFTYPTGESLV
YSNWAPGEPNDAGGSEDCVEIFTNGKWNDVACGEKRLVVCEF
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 chain4m17 Chain B Residue 403 [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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PDB4m17 Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Resolution2.096 Å
Binding residue
(original residue number in PDB)		E301 D330
Binding residue
(residue number reindexed from 1)		E88 D117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4m17, PDBe:4m17, PDBj:4m17
PDBsum4m17
PubMed24224757
UniProtP35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)

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