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(-) Description

Title :  2.1 ANGSTROM CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE NUCLEAR U8 SNORNA DECAPPING NUDIX HYDROLASE X29, MANGANESE AND M7G-PPP-A
 
Authors :  J. N. Scarsdale, B. A. Peculis, H. T. Wright
Date :  08 Jul 05  (Deposition) - 28 Mar 06  (Release) - 13 Jul 11  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  2.10
Chains :  Asym./Biol. Unit :  A,B
Keywords :  Modified Nudix Hydrolase Fold, Translation, Hydrolase (Keyword Search: [Gene Ontology, PubMed, Web (Google))
 
Reference :  J. N. Scarsdale, B. A. Peculis, H. T. Wright
Crystal Structures Of U8 Snorna Decapping Nudix Hydrolase, X29, And Its Metal And Cap Complexes
Structure V. 14 331 2006
PubMed-ID: 16472752  |  Reference-DOI: 10.1016/J.STR.2005.11.010
(for further references see the PDB file header)

(-) Compounds

Molecule 1 - U8 SNORNA-BINDING PROTEIN X29
    ChainsA, B
    EC Number3.6.1.-
    EngineeredYES
    Expression SystemESCHERICHIA COLI
    Expression System PlasmidPET19B
    Expression System StrainBL21(DES)PLYSS
    Expression System Taxid562
    Expression System Vector TypePLASMID
    Organism CommonAFRICAN CLAWED FROG
    Organism ScientificXENOPUS LAEVIS
    Organism Taxid8355
    Other DetailsCOMPLEXED WITH N-METHYL-GUANOSINE-TRIPHOSPHATE- GUANOSINE

 Structural Features

(-) Chains, Units

  12
Asymmetric/Biological Unit AB

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (3, 11)

Asymmetric/Biological Unit (3, 11)
No.NameCountTypeFull Name
1ADN2Ligand/IonADENOSINE
2MGT2Ligand/Ion7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
3MN7Ligand/IonMANGANESE (II) ION

(-) Sites  (11, 11)

Asymmetric Unit (11, 11)
No.NameEvidenceResiduesDescription
01AC1SOFTWAREGLY A:72 , GLU A:93 , MGT A:251 , MN A:301 , HOH A:633BINDING SITE FOR RESIDUE MN A 300
02AC2SOFTWAREGLU A:89 , GLU A:93 , GLU A:150 , MGT A:251 , MN A:300 , MN A:303 , HOH A:505BINDING SITE FOR RESIDUE MN A 301
03AC3SOFTWAREARG A:88 , GLU A:89 , MGT A:251 , MN A:303BINDING SITE FOR RESIDUE MN A 302
04AC4SOFTWAREGLU A:150 , MGT A:251 , MN A:301 , MN A:302BINDING SITE FOR RESIDUE MN A 303
05AC5SOFTWAREGLY B:72 , GLU B:93 , MGT B:251 , MN B:305 , HOH B:635BINDING SITE FOR RESIDUE MN B 304
06AC6SOFTWAREGLY B:72 , GLU B:89 , GLU B:92 , GLU B:93 , ASP B:146 , GLU B:150 , MGT B:251 , MN B:304 , MN B:306BINDING SITE FOR RESIDUE MN B 305
07AC7SOFTWAREGLU B:89 , GLU B:150 , MGT B:251 , MN B:305 , HOH B:615 , HOH B:628 , HOH B:629BINDING SITE FOR RESIDUE MN B 306
08AC8SOFTWAREHIS A:37 , ARG A:63 , PHE A:64 , GLY A:72 , GLY A:73 , PHE A:74 , GLU A:89 , GLU A:93 , GLU A:150 , ADN A:252 , MN A:300 , MN A:301 , MN A:302 , MN A:303 , PHE B:49BINDING SITE FOR RESIDUE MGT A 251
09AC9SOFTWAREHIS A:37 , PHE A:74 , THR A:122 , ILE A:178 , ASN A:180 , SER A:181 , GLN A:184 , MGT A:251 , HOH A:639BINDING SITE FOR RESIDUE ADN A 252
10BC1SOFTWAREPHE A:49 , HIS B:37 , ARG B:63 , PHE B:64 , GLY B:72 , GLY B:73 , PHE B:74 , GLU B:89 , GLU B:93 , GLU B:150 , ADN B:252 , MN B:304 , MN B:305 , MN B:306 , HOH B:635BINDING SITE FOR RESIDUE MGT B 251
11BC2SOFTWAREHIS B:37 , PHE B:70 , PHE B:74 , THR B:122 , ILE B:178 , ASN B:180 , SER B:181 , GLN B:184 , MGT B:251BINDING SITE FOR RESIDUE ADN B 252

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 2A8T)

(-) Cis Peptide Bonds  (1, 1)

Asymmetric/Biological Unit
No.Residues
1His B:116 -Pro B:117

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 2A8T)

(-) PROSITE Motifs  (1, 2)

Asymmetric/Biological Unit (1, 2)
 PROSITEUniProtKBPDB
No.IDACDescriptionIDLocationCountLocation
1NUDIXPS51462 Nudix hydrolase domain profile.NUD16_XENLA39-187
 
  2A:39-187
B:39-187

(-) Exons   (0, 0)

(no "Exon" information available for 2A8T)

(-) 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    
   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:192
 aligned with NUD16_XENLA | Q6TEC1 from UniProtKB/Swiss-Prot  Length:212

    Alignment length:192
                                    27        37        47        57        67        77        87        97       107       117       127       137       147       157       167       177       187       197       207  
          NUD16_XENLA    18 PRNISREESLQLEGYKHACHALLHAPSQAKLFDRVPIRRVLLMMMRFDGRLGFPGGFVDTRDISLEEGLKRELEEELGPALATVEVTEDDYRSSQVREHPQKCVTHFYIKELKLEEIERIEAEAVNAKDHGLEVMGLIRVPLYTLRDRVGGLPAFLCNNFIGNSKSQLLYALRSLKLLREDQIQEVLKASHR 209
               SCOP domains d2a8ta_ A: automated matches                                                                                                                                                                     SCOP domains
               CATH domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ CATH domains
               Pfam domains ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Pfam domains
         Sec.struct. author .eeehhhhhhh....eeeeeeeeeeeeeeeehhheeeeeeeeeeee....ee..eee......hhhhhhhhhhhhhhhhhhhhh..hhh.eeeeeee.....eeeeeeeee.hhhhhhhhhhhhhhh......eeeeee...........hhhhhh......hhhhhhhhhhhhh...hhhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ SAPs(SNPs)
                    PROSITE ---------------------NUDIX  PDB: A:39-187 UniProt: 39-187                                                                                                                 ---------------------- PROSITE
                 Transcript ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ Transcript
                 2a8t A  18 PRNISREESLQLEGYKHACHALLHAPSQAKLFDRVPIRRVLLMMMRFDGRLGFPGGFVDTRDISLEEGLKRELEEELGPALATVEVTEDDYRSSQVREHPQKCVTHFYIKELKLEEIERIEAEAVNAKDHGLEVMGLIRVPLYTLRDRVGGLPAFLCNNFIGNSKSQLLYALRSLKLLREDQIQEVLKASHR 209
                                    27        37        47        57        67        77        87        97       107       117       127       137       147       157       167       177       187       197       207  

Chain B from PDB  Type:PROTEIN  Length:191
 aligned with NUD16_XENLA | Q6TEC1 from UniProtKB/Swiss-Prot  Length:212

    Alignment length:191
                                    27        37        47        57        67        77        87        97       107       117       127       137       147       157       167       177       187       197       207 
          NUD16_XENLA    18 PRNISREESLQLEGYKHACHALLHAPSQAKLFDRVPIRRVLLMMMRFDGRLGFPGGFVDTRDISLEEGLKRELEEELGPALATVEVTEDDYRSSQVREHPQKCVTHFYIKELKLEEIERIEAEAVNAKDHGLEVMGLIRVPLYTLRDRVGGLPAFLCNNFIGNSKSQLLYALRSLKLLREDQIQEVLKASH 208
               SCOP domains d2a8tb_ B: automated matches                                                                                                                                                                    SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .eeehhhhhhhh...eeeeeeeeeee...eehhhee..eeeeeeee....ee..eeee.....hhhhhhhhhhhhhhhhhhhhh..hhh.eeeeeee.....eeeeeeeee.hhhhhhhhhhhhh........eeeeee...........hhhhhh......hhhhhhhhhhhhh...hhhhhhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ---------------------NUDIX  PDB: B:39-187 UniProt: 39-187                                                                                                                 --------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2a8t B  18 PRNISREESLQLEGYKHACHALLHAPSQAKLFDRVPIRRVLLMMMRFDGRLGFPGGFVDTRDISLEEGLKRELEEELGPALATVEVTEDDYRSSQVREHPQKCVTHFYIKELKLEEIERIEAEAVNAKDHGLEVMGLIRVPLYTLRDRVGGLPAFLCNNFIGNSKSQLLYALRSLKLLREDQIQEVLKASH 208
                                    27        37        47        57        67        77        87        97       107       117       127       137       147       157       167       177       187       197       207 

   Legend:   → Mismatch (orange background)
  - → Gap (green background, '-', border residues have a numbering label)
    → Modified Residue (blue background, lower-case, 'x' indicates undefined single-letter code, labelled with number + name)
  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  (1, 2)

Asymmetric/Biological Unit

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 2A8T)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 2A8T)

(-) Gene Ontology  (34, 34)

Asymmetric/Biological Unit(hide GO term definitions)
Chain A,B   (NUD16_XENLA | Q6TEC1)
molecular function
    GO:0005525    GTP binding    Interacting selectively and non-covalently with GTP, guanosine triphosphate.
    GO:1901641    ITP binding    Interacting selectively and non-covalently with ITP.
    GO:0003723    RNA binding    Interacting selectively and non-covalently with an RNA molecule or a portion thereof.
    GO:1901640    XTP binding    Interacting selectively and non-covalently with XTP.
    GO:0050897    cobalt ion binding    Interacting selectively and non-covalently with a cobalt (Co) ion.
    GO:0035870    dITP diphosphatase activity    Catalysis of the reaction: dITP + H2O = dIMP + diphosphate.
    GO:0016787    hydrolase activity    Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. Hydrolase is the systematic name for any enzyme of EC class 3.
    GO:0050072    m7G(5')pppN diphosphatase activity    Catalysis of the reaction: 7-methylguanosine 5'-triphospho-5'-polynucleotide + H2O = 7-methylguanosine 5'-phosphate + polynucleotide.
    GO:0003729    mRNA binding    Interacting selectively and non-covalently with messenger RNA (mRNA), an intermediate molecule between DNA and protein. mRNA includes UTR and coding sequences, but does not contain introns.
    GO:0000287    magnesium ion binding    Interacting selectively and non-covalently with magnesium (Mg) ions.
    GO:0030145    manganese ion binding    Interacting selectively and non-covalently with manganese (Mn) ions.
    GO:0046872    metal ion binding    Interacting selectively and non-covalently with any metal ion.
    GO:0008235    metalloexopeptidase activity    Catalysis of the hydrolysis of a peptide bond not more than three residues from the N- or C-terminus of a polypeptide chain by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
    GO:0000166    nucleotide binding    Interacting selectively and non-covalently with a nucleotide, any compound consisting of a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the ribose or deoxyribose.
    GO:0098519    nucleotide phosphatase activity, acting on free nucleotides    Catalysis of the reaction: nucleotide + H2O = nucleotide + phosphate.
    GO:0042803    protein homodimerization activity    Interacting selectively and non-covalently with an identical protein to form a homodimer.
    GO:0030515    snoRNA binding    Interacting selectively and non-covalently with small nucleolar RNA.
biological process
    GO:0046709    IDP catabolic process    The chemical reactions and pathways resulting in the breakdown of IDP, inosine 5'-diphosphate.
    GO:1901639    XDP catabolic process    The chemical reactions and pathways resulting in the breakdown of XDP.
    GO:0006382    adenosine to inosine editing    The conversion of an adenosine residue to inosine in an RNA molecule by deamination.
    GO:0035863    dITP catabolic process    The chemical reactions and pathways resulting in the breakdown of dITP, a deoxyinosine phosphate compound having a triphosphate group at the 5'-position.
    GO:0016311    dephosphorylation    The process of removing one or more phosphoric (ester or anhydride) residues from a molecule.
    GO:0006402    mRNA catabolic process    The chemical reactions and pathways resulting in the breakdown of mRNA, messenger RNA, which is responsible for carrying the coded genetic 'message', transcribed from DNA, to sites of protein assembly at the ribosomes.
    GO:2000233    negative regulation of rRNA processing    Any process that stops, prevents, or reduces the frequency, rate or extent of rRNA processing.
    GO:0009117    nucleotide metabolic process    The chemical reactions and pathways involving a nucleotide, a nucleoside that is esterified with (ortho)phosphate or an oligophosphate at any hydroxyl group on the glycose moiety; may be mono-, di- or triphosphate; this definition includes cyclic nucleotides (nucleoside cyclic phosphates).
    GO:0090068    positive regulation of cell cycle process    Any process that increases the rate, frequency or extent of a cellular process that is involved in the progression of biochemical and morphological phases and events that occur in a cell during successive cell replication or nuclear replication events.
    GO:0008284    positive regulation of cell proliferation    Any process that activates or increases the rate or extent of cell proliferation.
    GO:2000781    positive regulation of double-strand break repair    Any process that activates or increases the frequency, rate or extent of double-strand break repair.
    GO:0006508    proteolysis    The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.
    GO:0016077    snoRNA catabolic process    The chemical reactions and pathways resulting in the breakdown of snoRNA, small nucleolar RNA, any of a class of small RNAs that are associated with the eukaryotic nucleus as components of small nucleolar ribonucleoproteins.
cellular component
    GO:0005737    cytoplasm    All of the contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
    GO:0005730    nucleolus    A small, dense body one or more of which are present in the nucleus of eukaryotic cells. It is rich in RNA and protein, is not bounded by a limiting membrane, and is not seen during mitosis. Its prime function is the transcription of the nucleolar DNA into 45S ribosomal-precursor RNA, the processing of this RNA into 5.8S, 18S, and 28S components of ribosomal RNA, and the association of these components with 5S RNA and proteins synthesized outside the nucleolus. This association results in the formation of ribonucleoprotein precursors; these pass into the cytoplasm and mature into the 40S and 60S subunits of the ribosome.
    GO:0005654    nucleoplasm    That part of the nuclear content other than the chromosomes or the nucleolus.
    GO:0005634    nucleus    A membrane-bounded organelle of eukaryotic cells in which chromosomes are housed and replicated. In most cells, the nucleus contains all of the cell's chromosomes except the organellar chromosomes, and is the site of RNA synthesis and processing. In some species, or in specialized cell types, RNA metabolism or DNA replication may be absent.

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 Related Entries

(-) Entries Sharing at Least One Protein Chain (UniProt ID)

UniProtKB/Swiss-Prot
        NUD16_XENLA | Q6TEC11u20 2a8p 2a8q 2a8r 2a8s

(-) Related Entries Specified in the PDB File

1u20 CRYSTAL STRUCTURE OF THE XENOPUS LAEVIS NUDIX HYDROLASE SNORNA DECAPPING PROTEIN X29
2a8p
2a8q
2a8r
2a8s