Structure of PDB 4m18 Chain B Binding Site BS03

Receptor Information
>4m18 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 chain4m18 Chain B Residue 402 [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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PDB4m18 Molecular mechanisms of inhibition of influenza by surfactant protein d revealed by large-scale molecular dynamics simulation.
Resolution3.203 Å
Binding residue
(original residue number in PDB)		D297 E301 D324 E329 D330
Binding residue
(residue number reindexed from 1)		D84 E88 D111 E116 D117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4m18, PDBe:4m18, PDBj:4m18
PDBsum4m18
PubMed24224757
UniProtP35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)

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