Structure of PDB 3e3s Chain A Binding Site BS03

Receptor Information
>3e3s Chain A (length=206) Species: 4621 (Thaumatococcus daniellii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKI
WARTDCYFDDSGSGICKTGDCGGLLRCKRFGRPPTTLAEFSLNQYGKDYI
DISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACT
VFQTSEYCCTTGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYR
VTFCPT
Ligand information
Ligand IDI3C
InChIInChI=1S/C8H4I3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
InChIKeyJEZJSNULLBSYHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O
CACTVS 3.341Nc1c(I)c(C(O)=O)c(I)c(C(O)=O)c1I
ACDLabs 10.04Ic1c(C(=O)O)c(I)c(c(I)c1N)C(=O)O
FormulaC8 H4 I3 N O4
Name5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid;
5-Amino-2,4,6-triiodoisophthalic acid
ChEMBL
DrugBank
ZINCZINC000004806327
PDB chain3e3s Chain A Residue 1005 [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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PDB3e3s A magic triangle for experimental phasing of macromolecules
Resolution1.73 Å
Binding residue
(original residue number in PDB)		K49 F80 K106
Binding residue
(residue number reindexed from 1)		K49 F80 K106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response
Cellular Component
GO:0005576 extracellular region
GO:0031410 cytoplasmic vesicle

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Biological Process
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Cellular Component
External links
PDB RCSB:3e3s, PDBe:3e3s, PDBj:3e3s
PDBsum3e3s
PubMed19020357
UniProtP02883|THM1_THADA Thaumatin I

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