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(-) Description

Title :  X-RAY STRUCTURE OF A PUTATIVE TRIOSEPHOSPHATE ISOMERASE FROM TOXOPLASMA GONDII ME49
 
Authors :  E. V. Filippova, Z. Wawrzak, G. Minasov, A. Cardona-Correa, B. Bishop, W. F. Anderson, Center For Structural Genomics Of Infectious D (Csgid)
Date :  03 Feb 17  (Deposition) - 22 Feb 17  (Release) - 22 Feb 17  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.00
Chains :  Asym. Unit :  A,B,C,D
Biol. Unit 1:  A (1x),D (1x)
Biol. Unit 2:  B,C  (1x)
Keywords :  Structural Genomics, Center For Structural Genomics Of Infectious Diseases, Csgid, Isomerase (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  E. V. Filippova, Z. Wawrzak, G. Minasov, A. Cardona-Correa, B. Bishop W. F. Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid)
X-Ray Structure Of A Putative Triosephosphate Isomerase Fro Toxoplasma Gondii Me49
To Be Published
PubMed: search

(-) Compounds

Molecule 1 - TRIOSEPHOSPHATE ISOMERASE
    Chains: A, B, C, D
    EC Number: 5.3.1.1
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PMCSG7
    Expression System Strain: BL21(DE3)-MAGIC
    Expression System Taxid: 469008
    Expression System Vector Type: PLASMID
    Fragment: UNP RESIDUES 111-375
    Gene: TPI-II, TGME49_233500
    Organism Scientific: TOXOPLASMA GONDII (STRAIN ATCC 50611 / ME49)
    Organism Taxid: 508771
    Strain: ATCC 50611 / ME49

 Structural Features

(-) Chains, Units

  1234
Asymmetric Unit : ABCD
Biological Unit 1 (1x): A (1x)  D (1x)
Biological Unit 2 (1x):  BC 

Summary Information (see also Sequences/Alignments below)

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

Asymmetric Unit (3, 17)
No.NameCountTypeFull Name
1CL4Ligand/IonCHLORIDE ION
2MSE8Mod. Amino AcidSELENOMETHIONINE
3SO45Ligand/IonSULFATE ION
Biological Unit 1 (2, 4)
No.NameCountTypeFull Name
1CL-1Ligand/IonCHLORIDE ION
2MSE2Mod. Amino AcidSELENOMETHIONINE
3SO42Ligand/IonSULFATE ION
Biological Unit 2 (2, 6)
No.NameCountTypeFull Name
1CL-1Ligand/IonCHLORIDE ION
2MSE4Mod. Amino AcidSELENOMETHIONINE
3SO42Ligand/IonSULFATE ION

(-) Sites  (9, 9)

Asymmetric Unit (9, 9)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREALA A:293 , ILE A:294 , GLY A:295 , SER A:335 , GLY A:356 , GLY A:357 , HOH A:527 , HOH A:562 , HOH A:575 , HOH A:591 , HOH A:618 , HOH A:660binding site for residue SO4 A 401
2AC2SOFTWAREARG A:235 , PRO A:276 , HOH A:628binding site for residue SO4 A 402
3AC3SOFTWAREASN A:125 , HIS A:212 , GLU A:289 , HOH A:591binding site for residue CL A 403
4AC4SOFTWAREALA B:293 , ILE B:294 , GLY B:295 , SER B:335 , GLY B:356 , GLY B:357 , HOH B:510 , HOH B:512 , HOH B:565 , HOH B:603binding site for residue SO4 B 401
5AC5SOFTWAREASN B:125 , HIS B:212 , GLU B:289 , HOH B:565binding site for residue CL B 402
6AC6SOFTWAREALA C:293 , ILE C:294 , GLY C:295 , SER C:335 , GLY C:356 , GLY C:357 , HOH C:523 , HOH C:543 , HOH C:571binding site for residue SO4 C 401
7AC7SOFTWAREASN C:125 , HIS C:212 , GLU C:289 , HOH C:605binding site for residue CL C 402
8AC8SOFTWAREALA D:293 , ILE D:294 , GLY D:295 , SER D:335 , GLY D:356 , GLY D:357 , HOH D:527 , HOH D:528 , HOH D:537 , HOH D:588 , HOH D:603 , HOH D:647binding site for residue SO4 D 401
9AC9SOFTWAREASN D:125 , HIS D:212 , GLU D:289binding site for residue CL D 402

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 5UPR)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 5UPR)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 5UPR)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 5UPR)

(-) Exons   (0, 0)

(no "Exon" information available for 5UPR)

(-) 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:263
                                                                                                                                                                                                                                                                                                       
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .......eeeeee.....hhhhhhhhhhhhhhh......eeeeee.hhhhhhhhhhhh....eeeee................hhhhhhhh...eeee.hhhhhhh.......hhhhhhhhhhhhhhh..eeeeee..hhhhhhh.hhhhhhhhhhhhhhhhh.hhhhhh.eeeee.hhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eee....hhhhhhhhh......eeeehhhhhhhhhhhhhhhh.... Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5upr A 113 ALWAARRGFVGGNWKCNGTTAKTQELVDmLNSAPVSFEQVDVVVAPPSLFISQVQDSLRQPRVQVAAQDSSTQQAYGAFTGELSPKmIKEKNIPWVVLGHSERRAGFGGQPGESNQVVAKKVRAALNEGLSVILCIGETLEERESGQTQKVLSEQLEAVRQAVPEADAWKSIVIAYEPVWAIGTGKTATAALAQETHRDIRNWLAQAVSPKVAEATRVIYGGSVKGSNAKELFEGEDVDGFLVGGASLTGDFVSIIDAAKQQA 375
                                   122       132       142       152       162       172       182       192      |202       212       222       232       242       252       262       272       282       292       302       312       322       332       342       352       362       372   
                                                      141-MSE                                                   199-MSE                                                                                                                                                                            


Chain B from PDB  Type:PROTEIN  Length:258
                                                                                                                                                                                                                                                                                                  
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author .......eeeeee.....hhhhhhhhhhhhhhh......eeeeee.hhhhhhhhhhhh...eeeee................hhhhhhhh...eeee.hhhhhhh.......hhhhhhhhhhhhhhh..eeeeee..hhhhhhh.hhhhhhhhhhhhhhhhh.hhhhhh.eeeee.hhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeee...hhhhhhhhhh.....eeeehhhhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 5upr B 113 ALWAARRGFVGGNWKCNGTTAKTQELVDmLNSAPVSFEQVDVVVAPPSLFISQVQDSLRPRVQVAAQDSSTQQAYGAFTGELSPKmIKEKNIPWVVLGHSERRAGFGGQPGESNQVVAKKVRAALNEGLSVILCIGETLEERESGQTQKVLSEQLEAVRQAVPEADAWKSIVIAYEPVWAIGTGKTATAALAQETHRDIRNWLAQAVSPKVAEATRVIYGGSVKGSNAKELFEGEDVDGFLVGGASLTGDFVSIIDAA 371
                                   122       132       142       152       162       173       183       193     | 203       213       223       233       243       253       263       273       283       293       303       313       323       333       343       353       363        
                                                      141-MSE                       171|                       199-MSE                                                                                                                                                                        
                                                                                     173                                                                                                                                                                                                      


Chain C from PDB  Type:PROTEIN  Length:256
                                                                                                                                                                                                                                                                                                
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ..eeeeee.....hhhhhhhhhhhhhhh......eeeeee.hhhhhhhhhhhh....eeeee................hhhhhhhh...eeee.hhhhhhh.......hhhhhhhhhhhhhhh..eeeeee..hhhhhhh.hhhhhhhhhhhhhhhhh.hhhhhh.eeeee.hhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeee...hhhhhhhhhh.....eeeehhhhhhhhhhhhhhhh.. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5upr C 118 RRGFVGGNWKCNGTTAKTQELVDmLNSAPVSFEQVDVVVAPPSLFISQVQDSLRQPRVQVAAQDSSTQQAYGAFTGELSPKmIKEKNIPWVVLGHSERRAGFGGQPGESNQVVAKKVRAALNEGLSVILCIGETLEERESGQTQKVLSEQLEAVRQAVPEADAWKSIVIAYEPVWAIGTGKTATAALAQETHRDIRNWLAQAVSPKVAEATRVIYGGSVKGSNAKELFEGEDVDGFLVGGASLTGDFVSIIDAAKQ 373
                                   127       137   |   147       157       167       177       187       197 |     207       217       227       237       247       257       267       277       287       297       307       317       327       337       347       357       367      
                                                 141-MSE                                                   199-MSE                                                                                                                                                                          


Chain D from PDB  Type:PROTEIN  Length:256
                                                                                                                                                                                                                                                                                                
               SCOP domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author ...eeeeee.....hhhhhhhhhhhhhh.......eeeeee.hhhhhhhhhhhh....eeeee................hhhhhhhh...eeee.hhhhhhh.......hhhhhhhhhhhhhhh..eeeeee..hhhhhhh.hhhhhhhhhhhhhhhhh.hhhhhh.eeeee.hhhhh......hhhhhhhhhhhhhhhhhhhhhhhhhhhh.eeee...hhhhhhhhh......eeeehhhhhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 5upr D 117 ARRGFVGGNWKCNGTTAKTQELVDmLNSAPVSFEQVDVVVAPPSLFISQVQDSLRQPRVQVAAQDSSTQQAYGAFTGELSPKmIKEKNIPWVVLGHSERRAGFGGQPGESNQVVAKKVRAALNEGLSVILCIGETLEERESGQTQKVLSEQLEAVRQAVPEADAWKSIVIAYEPVWAIGTGKTATAALAQETHRDIRNWLAQAVSPKVAEATRVIYGGSVKGSNAKELFEGEDVDGFLVGGASLTGDFVSIIDAAK 372
                                   126       136    |  146       156       166       176       186       196  |    206       216       226       236       246       256       266       276       286       296       306       316       326       336       346       356       366      
                                                  141-MSE                                                   199-MSE
   Legend:   → Mismatch (orange background)
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  x → Chemical Group (purple background, 'x', labelled with number + name, e.g. ACE or NH2)
  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 5UPR)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 5UPR)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 5UPR)

(-) Gene Ontology  (0, 0)

Asymmetric Unit(hide GO term definitions)
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