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(-) Description

Title :  CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NANA SIALIDASE COMPLEXED WITH 3'-SIALYLLACTOSE
 
Authors :  L. Yang, H. Connaris, J. A. Potter, G. L. Taylor
Date :  14 Aug 13  (Deposition) - 27 Aug 14  (Release) - 27 Aug 14  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.84
Chains :  Asym./Biol. Unit :  A
Keywords :  Sugar Binding Protein, Carbohydrate-Binding Module, Sialic Acid Binding (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  H. Connaris, E. A. Govorkova, Y. Ligertwood, B. M. Dutia, L. Yang, S. Tauber, M. A. Taylor, N. Alias, R. Hagan, A. A. Nash, R. G. Webster, G. L. Taylor
Prevention Of Influenza By Targeting Host Receptors Using Engineered Proteins.
Proc. Natl. Acad. Sci. Usa V. 111 6401 2014
PubMed-ID: 24733924  |  Reference-DOI: 10.1073/PNAS.1404205111

(-) Compounds

Molecule 1 - NEURAMINIDASE
    Chains: A
    Engineered: YES
    Expression System: ESCHERICHIA COLI
    Expression System Strain: BL21(DE3)
    Expression System Taxid: 469008
    Fragment: CBM40, RESIDUES 52-236
    Organism Scientific: STREPTOCOCCUS PNEUMONIAE
    Organism Taxid: 1313
    Strain: R36A / NCTC 10319

 Structural Features

(-) Chains, Units

  1
Asymmetric/Biological Unit : A

Summary Information (see also Sequences/Alignments below)

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

Asymmetric/Biological Unit (2, 2)
No.NameCountTypeFull Name
1SLT1Ligand/Ion5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULOPYRANONOSYL-(2->3)-BETA-D-LYXO-HEXOPYRANOSYL-(1->4)HEXOPYRANOSE
2TRS1Ligand/Ion2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

(-) Sites  (2, 2)

Asymmetric Unit (2, 2)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREPRO A:230 , THR A:231 , PRO A:235 , HOH A:2116 , HOH A:2124 , HOH A:2166BINDING SITE FOR RESIDUE TRS A1306
2AC2SOFTWAREPHE A:167 , GLU A:195 , ARG A:197 , ASN A:209 , ARG A:274 , TRP A:280 , THR A:297 , HOH A:2076 , HOH A:2087 , HOH A:2167 , HOH A:2168 , HOH A:2170BINDING SITE FOR RESIDUE SLT A1307

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 4C1W)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 4C1W)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 4C1W)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 4C1W)

(-) Exons   (0, 0)

(no "Exon" information available for 4C1W)

(-) 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:188
 aligned with Q4LB86_STREE | Q4LB86 from UniProtKB/TrEMBL  Length:672

    Alignment length:215
                                    31        41        51        61        71        81        91       101       111       121       131       141       151       161       171       181       191       201       211       221       231     
         Q4LB86_STREE    22 GNKQEQERKDKQEEKIPRDYYARDLENVETVIEKEDVETNASNGQRVDLSSELDKLKKLENATVHMEFKPDAKAPAFYNLFSVSSATKKDEYFTMAVYNNTATLEGRGSDGKQFYNNYNDAPLKVKPGQWNSVTFTVEKPTAELPKGRVRLYVNGVLSRTSLRSGNFIKDMPDVTHVQIGATKRANNTVWGSNLQIRNLTVYNRALTPEEVQKRS 236
               SCOP domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .---------------------------.eeeeeeeeeehhhhh.eee...hhhhhhhh..eeeeeeeee......eeeeeeee.......eeeeeee..eeeeeee.......................eeeeeeee.........eeeeee..eeeeee.....hhhhh....eeeee.eee..eee....eeeeeeeee....hhhhhhhhh Sec.struct. author
                 SAPs(SNPs) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 4c1w A 118 G---------------------------AMVIEKEDVETNASNGQRVDLSSELDKLKKLENATVHMEFKPDAKAPAFYNLFSVSSATKKDEYFTMAVYNNTATLEGRGSDGKQFYNNYNDAPLKVKPGQWNSVTFTVEKPTAELPKGRVRLYVNGVLSRTSLRSGNFIKDMPDVTHVQIGATKRANNTVWGSNLQIRNLTVYNRALTPEEVQKRS 305
                            |        -         -       120       130       140       150       160       170       180       190       200       210       220       230       240       250       260       270       280       290       300     
                            |                         119                                                                                                                                                                                          
                          118
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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 4C1W)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 4C1W)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 4C1W)

(-) Gene Ontology  (2, 2)

Asymmetric/Biological Unit(hide GO term definitions)
Chain A   (Q4LB86_STREE | Q4LB86)
molecular function
    GO:0004308    exo-alpha-sialidase activity    Catalysis of the hydrolysis of alpha-(2->3)-, alpha-(2->6)-, alpha-(2->8)-glycosidic linkages of terminal sialic residues in oligosaccharides, glycoproteins, glycolipids, colominic acid and synthetic substrates.
biological process
    GO:0005975    carbohydrate metabolic process    The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. Includes the formation of carbohydrate derivatives by the addition of a carbohydrate residue to another molecule.

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(-) Related Entries Specified in the PDB File

4c1x CARBOHYDRATE BINDING DOMAIN FROM STREPTOCOCCUS PNEUMONIAE NANA SIALIDASE COMPLEXED WITH 6'-SIALYLLACTOSE