Structure of PDB 2rie Chain C Binding Site BS01

Receptor Information
>2rie Chain C (length=145) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEALQGQVQHLQAAFSQYKKVELFPNGQSVGEKIFKTAGFVKPFTEAQLL
CTQAGGQLASPRSAAENAALQQLVVAKNEAAFLSMTDSKTEGKFTYPTGE
SLVYSNWAPGEPNDDGGSEDCVEIFTNGKWNDRACGEKRLVVCEF
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 chain2rie Chain C Residue 401 [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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PDB2rie Recognition of heptoses and the inner core of bacterial lipopolysaccharides by surfactant protein d.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E321 N323 E329 N341 D342
Binding residue
(residue number reindexed from 1)		E111 N113 E119 N131 D132
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2rie, PDBe:2rie, PDBj:2rie
PDBsum2rie
PubMed18092821
UniProtP35247|SFTPD_HUMAN Pulmonary surfactant-associated protein D (Gene Name=SFTPD)

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