Structure of PDB 3q7s Chain B Binding Site BS02

Receptor Information
>3q7s Chain B (length=94) Species: 471472 (Chlamydia trachomatis L2/434/Bu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKHVLLVSEHWDLFFQTKELLNPEEYRCTIGQQYADLVVCEYSLLPREIR
SPVLVLLDFFDEETSVDLLDRGFWYLIRPITPRILKSAISLFLS
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 chain3q7s Chain B Residue 115 [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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PDB3q7s The atypical response regulator protein ChxR has structural characteristics and dimer interface interactions that are unique within the OmpR/PhoB subfamily.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G34 Q35 Q36
Binding residue
(residue number reindexed from 1)		G31 Q32 Q33
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000160 phosphorelay signal transduction system

View graph for
Biological Process
External links
PDB RCSB:3q7s, PDBe:3q7s, PDBj:3q7s
PDBsum3q7s
PubMed21775428
UniProtA0A0H3MDW1|CHXR_CHLT2 Atypical response regulator protein ChxR (Gene Name=chxR)

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