Structure of PDB 3flt Chain A Binding Site BS04

Receptor Information
>3flt Chain A (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 IDOPE
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
FormulaC2 H8 N O4 P
NamePHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
COLAMINE PHOSPHORIC ACID
ChEMBLCHEMBL146972
DrugBankDB01738
ZINCZINC000003870166
PDB chain3flt Chain A Residue 400 [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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PDB3flt Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y49 N60 E145 D147 E157
Binding residue
(residue number reindexed from 1)		Y49 N60 E145 D147 E157
Annotation score1
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:3flt, PDBe:3flt, PDBj:3flt
PDBsum3flt
PubMed19452596
UniProtQ8WQK3

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