Structure of PDB 3flp Chain I Binding Site BS01

Receptor Information
>3flp Chain I (length=217) Species: 6850 (Limulus polyphemus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVDIRDVKISFPGTQNPKFPHLRFMQTLPAVRQLTVCQRIKPFHRNTGYI
FSCATSNQDNQFITSMYVKSDGTLNLGLQVNASSNKYISCPIEIELGQWY
HVCHVWSGVDGRMAVYANGSPCGTMENVGKGHQISAGGTVVIGQEQDKIG
GGFEEQESWSGELSDLQVWDEALTTHQVSTVASCNGIRPRGNVISWMEDS
FVADDGVIVGISHMCSL
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 chain3flp Chain I Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3flp Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D59 N60 E145 Q146 D147
Binding residue
(residue number reindexed from 1)		D59 N60 E145 Q146 D147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3flp, PDBe:3flp, PDBj:3flp
PDBsum3flp
PubMed19452596
UniProtQ8WQK3

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