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(-) Description

Title :  CRYSTAL STRUCTURE OF THE SELENOMETHIONINE DERIVATIVE OF THE L 22,47, 100 M MUTANT OF SIALOSTATIN L2
 
Authors :  J. F. Andersen
Date :  06 May 10  (Deposition) - 14 Jul 10  (Release) - 18 Aug 10  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.52
Chains :  Asym./Biol. Unit :  A
Keywords :  Antiparallel Beta-Sheet, Hydrolase Inhibitor (Keyword Search: [Gene Ontology, PubMed, Web (Google))
 
Reference :  M. Kotsyfakis, H. Horka, J. Salat, J. F. Andersen
The Crystal Structures Of Two Salivary Cystatins From The Tick Ixodes Scapularis And The Effect Of These Inhibitors O The Establishment Of Borrelia Burgdorferi Infection In A Murine Model.
Mol. Microbiol. V. 77 456 2010
PubMed-ID: 20545851  |  Reference-DOI: 10.1111/J.1365-2958.2010.07220.X

(-) Compounds

Molecule 1 - SIALOSTATIN L2
    ChainsA
    EngineeredYES
    Expression SystemESCHERICHIA COLI
    Expression System PlasmidPET 17B
    Expression System StrainB834(DE3)PLYSS
    Expression System Taxid562
    Expression System Vector TypePLASMID
    FragmentRESIDUES 19-132
    MutationYES
    Organism CommonBLACKLEGGED TICK,DEER TICK,SHOULDER TICK
    Organism ScientificIXODES SCAPULARIS
    Organism Taxid6945

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit A

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (2, 5)

Asymmetric/Biological Unit (2, 5)
No.NameCountTypeFull Name
1MSE4Mod. Amino AcidSELENOMETHIONINE
2SO41Ligand/IonSULFATE ION

(-) Sites  (1, 1)

Asymmetric Unit (1, 1)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREGLY A:7 , ARG A:61 , HOH A:159 , HOH A:230BINDING SITE FOR RESIDUE SO4 A 116

(-) SS Bonds  (2, 2)

Asymmetric/Biological Unit
No.Residues
1A:71 -A:82
2A:93 -A:112

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 3MWZ)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 3MWZ)

(-) PROSITE Motifs  (1, 1)

Asymmetric/Biological Unit (1, 1)
 PROSITEUniProtKBPDB
No.IDACDescriptionIDLocationCountLocation
1CYSTATINPS00287 Cysteine proteases inhibitors signature.CYTL2_IXOSC69-82  1A:52-65

(-) Exons   (0, 0)

(no "Exon" information available for 3MWZ)

(-) Sequences/Alignments

Asymmetric/Biological 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
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Chain A from PDB  Type:PROTEIN  Length:115
 aligned with CYTL2_IXOSC | B7PKZ1 from UniProtKB/Swiss-Prot  Length:132

    Alignment length:115
                                    27        37        47        57        67        77        87        97       107       117       127     
          CYTL2_IXOSC    18 AELALRGGYRERSNQDDPEYLELAHYATSTWSAQQPGKTHFDTVVEVLKVETQTVAGTNYRLTLKVAESTCELTSTYNKDTCQANANAAQRTCTTVIYRNLQGEKSISSFECAAA 132
               SCOP domains d3mwza_ A: automated matches                                                                                        SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .........eee.....hhhhhhhhhhhhhhhhh.....eeeeeeeeeeeeeee...eeeeeeeeeeeeeee.................eeeeeeeeee.....eeeeeeee... Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------------------------------------CYSTATIN      -------------------------------------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------- Transcript
                 3mwz A   1 mELALRGGYRERSNQDDPEYLEmAHYATSTWSAQQPGKTHFDTVVEVmKVETQTVAGTNYRLTLKVAESTCELTSTYNKDTCQANANAAQRTCTTVIYRNmQGEKSINSFECAAA 115
                            |       10        20  |     30        40       |50        60        70        80        90       100|      110     
                            |                    23-MSE                   48-MSE                                              101-MSE          
                            1-MSE                                                                                                              

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 Classification and Annotation

(-) SCOP Domains  (1, 1)

Asymmetric/Biological Unit

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 3MWZ)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 3MWZ)

(-) Gene Ontology  (5, 5)

Asymmetric/Biological Unit(hide GO term definitions)
Chain A   (CYTL2_IXOSC | B7PKZ1)
molecular function
    GO:0004869    cysteine-type endopeptidase inhibitor activity    Stops, prevents or reduces the activity of a cysteine-type endopeptidase, any enzyme that hydrolyzes peptide bonds in polypeptides by a mechanism in which the sulfhydryl group of a cysteine residue at the active center acts as a nucleophile.
    GO:0030414    peptidase inhibitor activity    Stops, prevents or reduces the activity of a peptidase, any enzyme that catalyzes the hydrolysis peptide bonds.
biological process
    GO:2000117    negative regulation of cysteine-type endopeptidase activity    Any process that stops, prevents, or reduces the frequency, rate or extent of cysteine-type endopeptidase activity.
    GO:0010466    negative regulation of peptidase activity    Any process that stops or reduces the rate of peptidase activity, the hydrolysis of peptide bonds within proteins.
cellular component
    GO:0005576    extracellular region    The space external to the outermost structure of a cell. For cells without external protective or external encapsulating structures this refers to space outside of the plasma membrane. This term covers the host cell environment outside an intracellular parasite.

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 Related Entries

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        CYTL2_IXOSC | B7PKZ13lh4

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