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(-) Description

Title :  CRYSTAL STRUCTURE OF THE THIOSULFATE DEHYDROGENASE TSDA IN COMPLEX WITH THIOSULFATE
 
Authors :  D. B. Grabarczyk, P. E. Chappell, B. Eisel, S. Johnson, S. M. Lea, B. C. Be
Date :  10 Oct 14  (Deposition) - 18 Feb 15  (Release) - 22 Jul 15  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.29
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (2x)
Keywords :  Oxidoreductase, Cytochrome C, His/Cys Heme, Disulfide Formation, Cysteine Modification (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  D. B. Grabarczyk, P. E. Chappell, B. Eisel, S. Johnson, S. M. Lea, B. C. Berks
Mechanism Of Thiosulfate Oxidation In The Soxa Family Of Cysteine-Ligated Cytochromes
J. Biol. Chem. V. 290 9209 2015
PubMed-ID: 25673696  |  Reference-DOI: 10.1074/JBC.M114.618025

(-) Compounds

Molecule 1 - THIOSULFATE DEHYDROGENASE
    Atcc: 17899
    Chains: A
    EC Number: 1.8.2.2
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Plasmid: PQE80L
    Expression System Strain: L56
    Expression System Taxid: 562
    Expression System Vector Type: PLASMID
    Organism Scientific: ALLOCHROMATIUM VINOSUM
    Organism Taxid: 1049
    Other Details: PERSULFIDE MODIFICATION ON C123

 Structural Features

(-) Chains, Units

  1
Asymmetric Unit : A
Biological Unit 1 (2x): A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 4)

Asymmetric Unit (3, 4)
No.NameCountTypeFull Name
1CSS1Mod. Amino AcidS-MERCAPTOCYSTEINE
2HEM2Ligand/IonPROTOPORPHYRIN IX CONTAINING FE
3THJ1Ligand/IonTHIOSULFATE
Biological Unit 1 (3, 8)
No.NameCountTypeFull Name
1CSS2Mod. Amino AcidS-MERCAPTOCYSTEINE
2HEM4Ligand/IonPROTOPORPHYRIN IX CONTAINING FE
3THJ2Ligand/IonTHIOSULFATE

(-) Sites  (3, 3)

Asymmetric Unit (3, 3)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREHIS A:78 , PRO A:81 , ARG A:186 , CYS A:187 , CYS A:190 , HIS A:191 , LEU A:206 , PHE A:207 , PRO A:208 , PRO A:209 , LEU A:210 , PHE A:216 , PHE A:231 , MET A:236 , PRO A:237 , LEU A:238 , HOH A:2066BINDING SITE FOR RESIDUE HEM A 600
2AC2SOFTWARELEU A:59 , ALA A:75 , CYS A:76 , CYS A:79 , HIS A:80 , PHE A:96 , LEU A:116 , ARG A:119 , CSS A:123 , PHE A:124 , SER A:127 , LEU A:128 , GLY A:164 , ILE A:165 , GLU A:171 , THR A:227 , THJ A:700 , HOH A:2070 , HOH A:2071 , HOH A:2085 , HOH A:2086 , HOH A:2109 , HOH A:2139 , HOH A:2202BINDING SITE FOR RESIDUE HEM A 601
3AC3SOFTWAREARG A:109 , ARG A:119 , ASP A:122 , CSS A:123 , ARG A:126 , SER A:127 , GLY A:219 , ALA A:220 , GLY A:221 , HEM A:601 , HOH A:2110BINDING SITE FOR RESIDUE THJ A 700

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4V2K)

(-) Cis Peptide Bonds  (2, 2)

Asymmetric Unit
No.Residues
1Phe A:103 -Pro A:104
2Met A:236 -Pro A:237

 Sequence-Structure Mapping

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(-) PROSITE Motifs  (0, 0)

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(-) Exons   (0, 0)

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(-) 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    
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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:235
                                                                                                                                                                                                                                                                           
               SCOP domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .ee.....hhhhh.hhhhhhhhhhhhhhhhhhhhhh........hhhhh..................hhhhhh.eee....eeehhhhhhhhhhhh..........hhhhhhhhhhhhhhh.......ee..............hhhhhhhhhhhhhhhhhh.....ee.....eee............hhhhhhhhhhhhhhhhh........hhhhhhhhhhhhhh....... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4v2k A  31 PTVALTVPAAALLPDGALGESIVRGRRYLSDTPAQLPDFVGNGLACRHCHPGRDGEVGTEANAAPFVGVVGRFPQYSARHGRLITLEQRIGDcFERSLNGRALALDHPALIDMLAYMSWLSQGVPVGAVVAGHGIPTLTLEREPDGVHGEALYQARCLACHGADGSGTLDADGRYLFPPLWGPRSFNTGAGMNRQATAAGFIKHKMPLGADDSLSDEEAWDVAGFVLTHPRPLFQ 265
                                    40        50        60        70        80        90       100       110       120  |    130       140       150       160       170       180       190       200       210       220       230       240       250       260     
                                                                                                                      123-CSS
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 Classification and Annotation

(-) SCOP Domains  (0, 0)

(no "SCOP Domain" information available for 4V2K)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4V2K)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4V2K)

(-) Gene Ontology  (7, 7)

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 Related Entries

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UniProtKB/Swiss-Prot
        TSDA_ALLVD | D3RVD4: 4wq7 4wq8 4wq9 4wqa 4wqb 4wqc 4wqd 4wqe

(-) Related Entries Specified in the PDB File

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