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(-) Description

Title :  STRUCTURE OF THE EFFECTOR - IMMUNITY SYSTEM TAE4 / TAI4 FROM SALMONELLA TYPHIMURIUM, SELENOMETHIONINE VARIANT
 
Authors :  J. Benz, J. Reinstein, A. Meinhart
Date :  05 Feb 13  (Deposition) - 22 May 13  (Release) - 15 Jan 14  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.30
Chains :  Asym. Unit :  A,B
Biol. Unit 1:  A,B  (2x)
Keywords :  N1Pc/P60 Papain Like Cysteine Peptidase Tae4, Peptidoglycan Hydrolase, Immunity Protein Tai4, Tae4: Cytoplasmatic, Tai4: Periplasmatic, Toxin-Inhibitor Complex (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  J. Benz, J. Reinstein, A. Meinhart
Structural Insights Into The Effector - Immunity System Tae4/Tai4 From Salmonella Typhimurium.
Plos One V. 8 67362 2013
PubMed-ID: 23826277  |  Reference-DOI: 10.1371/JOURNAL.PONE.0067362

(-) Compounds

Molecule 1 - PUTATIVE CYTOPLASMIC PROTEIN
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PET28B
    Expression System Strain: BL21(DE3)-RIL
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Organism Scientific: SALMONELLA ENTERICA SUBSP. ENTERICA SEROVAR TYPHIMURIUM
    Organism Taxid: 99287
    Strain: LT2 / SGSC1412 / ATCC 700720
    Synonym: TAE4
 
Molecule 2 - PUTATIVE PERIPLASMIC PROTEIN
    Chains: B
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PET28B
    Expression System Strain: BL21(DE3)-RIL
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Fragment: PERIPLASMATIC INHIBITOR DOMAIN (UNP RESIDUES 27-127)
    Organism Scientific: SALMONELLA ENTERICA SUBSP. ENTERICA SEROVAR TYPHIMURIUM
    Organism Taxid: 99287
    Strain: LT2 / SGSC1412 / ATCC 700720
    Synonym: TAI4

 Structural Features

(-) Chains, Units

  12
Asymmetric Unit : AB
Biological Unit 1 (2x): AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 17)

Asymmetric Unit (3, 17)
No.NameCountTypeFull Name
1ETX12Ligand/Ion2-ETHOXYETHANOL
2FLC1Ligand/IonCITRATE ANION
3MSE4Mod. Amino AcidSELENOMETHIONINE
Biological Unit 1 (3, 34)
No.NameCountTypeFull Name
1ETX24Ligand/Ion2-ETHOXYETHANOL
2FLC2Ligand/IonCITRATE ANION
3MSE8Mod. Amino AcidSELENOMETHIONINE

(-) Sites  (13, 13)

Asymmetric Unit (13, 13)
No.NameEvidenceResiduesDescription
01AC1SOFTWAREARG A:14 , ASN A:30 , ARG A:61 , LYS A:67 , VAL A:68 , SER A:69 , PHE A:75 , HOH B:322BINDING SITE FOR RESIDUE FLC A 201
02AC2SOFTWAREPHE A:40 , GLN A:41 , ASN A:42 , TYR A:78 , ARG A:79 , HOH A:307 , HOH A:350 , SER B:67 , LEU B:70 , GLU B:71 , HOH B:320BINDING SITE FOR RESIDUE ETX A 202
03AC3SOFTWARELYS A:15 , ALA A:66 , LYS B:74 , GLU B:126BINDING SITE FOR RESIDUE ETX A 203
04AC4SOFTWAREASP A:22 , ASN A:62BINDING SITE FOR RESIDUE ETX A 204
05AC5SOFTWAREGLY A:24 , GLY A:28 , GLY A:29 , GLY A:32 , LYS A:33 , HOH A:314 , HOH A:327BINDING SITE FOR RESIDUE ETX A 205
06AC6SOFTWAREASN A:2 , PHE A:57 , PRO A:58 , THR A:90BINDING SITE FOR RESIDUE ETX A 206
07AC7SOFTWARESER B:35 , GLN B:36 , SER B:37 , ARG B:124 , ETX B:202BINDING SITE FOR RESIDUE ETX B 201
08AC8SOFTWARESER B:37 , LYS B:122 , ARG B:124 , ETX B:201BINDING SITE FOR RESIDUE ETX B 202
09AC9SOFTWAREASN B:42 , ILE B:112 , HIS B:113BINDING SITE FOR RESIDUE ETX B 203
10BC1SOFTWARELEU B:51 , LYS B:59 , ETX B:206BINDING SITE FOR RESIDUE ETX B 204
11BC2SOFTWARESER A:5 , PRO A:161 , GLU B:82BINDING SITE FOR RESIDUE ETX B 205
12BC3SOFTWAREGLY A:37 , GLY A:38 , HIS B:47 , ALA B:50 , LEU B:51 , ARG B:63 , ALA B:66 , ETX B:204 , HOH B:314BINDING SITE FOR RESIDUE ETX B 206
13BC4SOFTWARETYR B:53 , LYS B:54 , ASP B:55 , VAL B:57 , VAL B:58 , HOH B:339 , HOH B:348BINDING SITE FOR RESIDUE ETX B 207

(-) SS Bonds  (1, 1)

Asymmetric Unit
No.Residues
1B:48 -B:108

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4J30)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4J30)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4J30)

(-) Exons   (0, 0)

(no "Exon" information available for 4J30)

(-) Sequences/Alignments

Asymmetric Unit
   Reformat: Number of residues per line =  ('0' or empty: single-line sequence representation)
  Number of residues per labelling interval =   
  UniProt sequence: complete  aligned part    
   Show mapping: SCOP domains CATH domains Pfam domains Secondary structure (by author)
SAPs(SNPs) PROSITE motifs Exons
(details for a mapped element are shown in a popup box when the mouse pointer rests over it) 
Chain A from PDB  Type:PROTEIN  Length:154
                                                                                                                                                                                          
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...hhhhhhhhhhhh..hhhhhhhhhhhhhhhhhhh.....hhhhhhhhhhhhh...........eee.....eee.hhhhhhhhhhhhh....eeee..hhhhhh...eeeeeeee......eeeeee......hhhhh...eeeeeeeee.. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4j30 A   2 NRPSFNEAWLAFRKVNHSVADVGSIIGGNVGKNITGGYFQNACPIRmSYVLNATGFPIARNSPYAKVSGADNKFYIYRVNDmIDYLTHTmGKPDLIVNNPKQSDFIGKKGIIVVKGHGWSNARGHVTLWNGSICSDQCHLGPFVPEVGTLWILP 161
                                    11        21        31        41      | 51        61        71        81 |      91       101       111       121       131       141|      157    
                                                                         48-MSE                             83-MSE  91-MSE                                           141|             
                                                                                                                                                                      148             


Chain B from PDB  Type:PROTEIN  Length:101
                                                                                                                                     
               SCOP domains ----------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...hhhhhhhhhhhhhhhhhhhhhhhh.hhhhhhhhhhhhhhhhhhh..hhhhhhhhhhhhhhhhh..........hhhhhhhhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------- Transcript
                 4j30 B  27 QEALTTQYSQSELLKNWALSHCLALVYKDDVVKNDARATASAYLEYGKQSVEIYHEIDEIAKKYSGLKYNGSISSDFNTmKCIDFIHDRELNELIKRRVEK 127
                                    36        46        56        66        76        86        96       106       116       126 
                                                                                                         106-MSE
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  extra numbering lines below/above indicate numbering irregularities and modified residue names etc., number ends below/above '|'

 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4J30)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4J30)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4J30)

(-) Gene Ontology  (0, 0)

Asymmetric Unit(hide GO term definitions)
    (no "Gene Ontology" information available for 4J30)

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 Related Entries

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        Q8ZRL5_SALTY | Q8ZRL5: 4hff 4j32
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(-) Related Entries Specified in the PDB File

4j32