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(-) Description

Title :  CRYSTAL STRUCTURE OF SCLEROTINIA SCLEROTIORUM AGGLUTININ SSA IN COMPLEX WITH GAL-BETA1,3-GALNAC
 
Authors :  G. Sulzenbacher, V. Roig-Zamboni, W. J. Peumans, P. Rouge, E. J. M. Van Y. Bourne
Date :  15 Jan 10  (Deposition) - 26 May 10  (Release) - 13 Jul 11  (Revision)
Method :  X-RAY DIFFRACTION
Resolution :  1.97
Chains :  Asym. Unit :  A
Biol. Unit 1:  A  (2x)
Keywords :  Fungal Lectin, Beta-Trefoil Domain, Cell Adhesion (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )
 
Reference :  G. Sulzenbacher, V. Roig-Zamboni, W. J. Peumans, P. Rouge, E. J. M. Van Damme, Y. Bourne
Crystal Structure Of The Galnac/Gal-Specific Agglutinin From The Phytopathogenic Ascomycete Sclerotinia Sclerotiorum Reveals Novel Adaptation Of A Beta-Trefoil Domain
J. Mol. Biol. V. 400 715 2010
PubMed-ID: 20566411  |  Reference-DOI: 10.1016/J.JMB.2010.05.038

(-) Compounds

Molecule 1 - AGGLUTININ
    Chains: A
    Organism Scientific: SCLEROTINIA SCLEROTIORUM
    Organism Taxid: 5180
    Synonym: AGGLUTININ SSA

 Structural Features

(-) Chains, Units

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

Summary Information (see also Sequences/Alignments below)

(-) Ligands, Modified Residues, Ions  (4, 8)

Asymmetric Unit (4, 8)
No.NameCountTypeFull Name
1GAL1Ligand/IonBETA-D-GALACTOSE
2NGA1Ligand/IonN-ACETYL-D-GALACTOSAMINE
3PG42Ligand/IonTETRAETHYLENE GLYCOL
4SO44Ligand/IonSULFATE ION
Biological Unit 1 (4, 16)
No.NameCountTypeFull Name
1GAL2Ligand/IonBETA-D-GALACTOSE
2NGA2Ligand/IonN-ACETYL-D-GALACTOSAMINE
3PG44Ligand/IonTETRAETHYLENE GLYCOL
4SO48Ligand/IonSULFATE ION

(-) Sites  (8, 8)

Asymmetric Unit (8, 8)
No.NameEvidenceResiduesDescription
1AC1SOFTWAREASN A:22 , TRP A:24 , GLU A:25 , TYR A:37 , ASN A:46 , TYR A:127 , ASP A:144 , NGA A:1154 , SO4 A:1155 , HOH A:2061 , HOH A:2159 , HOH A:2160BINDING SITE FOR RESIDUE GAL A1153
2AC2SOFTWAREGLN A:15 , GLU A:25 , TYR A:127 , GAL A:1153 , SO4 A:1155 , HOH A:2032 , HOH A:2160 , HOH A:2161 , HOH A:2162 , HOH A:2163BINDING SITE FOR RESIDUE NGA A1154
3AC3SOFTWARETYR A:37 , TYR A:127 , LYS A:141 , GAL A:1153 , NGA A:1154 , HOH A:2144 , HOH A:2159BINDING SITE FOR RESIDUE SO4 A1155
4AC4SOFTWARELYS A:100 , SER A:128 , THR A:129 , HIS A:130 , HOH A:2164BINDING SITE FOR RESIDUE SO4 A1156
5AC5SOFTWAREGLY A:40 , ASP A:41 , LYS A:42 , HOH A:2165BINDING SITE FOR RESIDUE SO4 A1157
6AC6SOFTWAREHIS A:81 , HIS A:105 , HOH A:2166 , HOH A:2167 , HOH A:2168BINDING SITE FOR RESIDUE SO4 A1158
7AC7SOFTWARELEU A:28 , PRO A:30 , TYR A:72 , GLN A:87BINDING SITE FOR RESIDUE PG4 A1159
8AC8SOFTWARETYR A:14 , GLN A:15 , THR A:129 , HOH A:2019 , HOH A:2030 , HOH A:2128 , HOH A:2169BINDING SITE FOR RESIDUE PG4 A1160

(-) SS Bonds  (0, 0)

(no "SS Bond" information available for 2X2T)

(-) Cis Peptide Bonds  (0, 0)

(no "Cis Peptide Bond" information available for 2X2T)

 Sequence-Structure Mapping

(-) SAPs(SNPs)/Variants  (0, 0)

(no "SAP(SNP)/Variant" information available for 2X2T)

(-) PROSITE Motifs  (0, 0)

(no "PROSITE Motif" information available for 2X2T)

(-) Exons   (0, 0)

(no "Exon" information available for 2X2T)

(-) 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:152
 aligned with AGGL_SCLSC | A7XUK7 from UniProtKB/Swiss-Prot  Length:153

    Alignment length:152
                                    11        21        31        41        51        61        71        81        91       101       111       121       131       141       151  
           AGGL_SCLSC     2 GFKGVGTYEIVPYQAPSLNLNAWEGKLEPGAVVRTYTRGDKPSDNAKWQVALVAGSGDSAEYLIINVHSGYFLTATKENHIVSTPQISPTDPSARWTIKPATTHQYEVFTINNKVSELGQLTVKDYSTHSGADVLSASAKTADNQKWYFDAK 153
               SCOP domains -------------------------------------------------------------------------------------------------------------------------------------------------------- SCOP domains
               CATH domains -------------------------------------------------------------------------------------------------------------------------------------------------------- CATH domains
               Pfam domains -------------------------------------------------------------------------------------------------------------------------------------------------------- Pfam domains
         Sec.struct. author .....eeeeeee.....eeeee........eeeeeee.....hhhh.eeeeeee......eeeeee.....eeeee...eeeee......hhhh.eeeee........eeeee.hhhhheeee..........eeee....hhhhheeeeee Sec.struct. author
                 SAPs(SNPs) -------------------------------------------------------------------------------------------------------------------------------------------------------- SAPs(SNPs)
                    PROSITE -------------------------------------------------------------------------------------------------------------------------------------------------------- PROSITE
                 Transcript -------------------------------------------------------------------------------------------------------------------------------------------------------- Transcript
                 2x2t A   2 GFKGVGTYEIVPYQAPSLNLNAWEGKLEPGAVVRTYTRGDKPSDNAKWQVALVAGSGDSAEYLIINVHSGYFLTATKENHIVSTPQISPTDPSARWTIKPATTHQYEVFTINNKVSELGQLTVKDYSTHSGADVLSASAKTADNQKWYFDAK 153
                                    11        21        31        41        51        61        71        81        91       101       111       121       131       141       151
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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 2X2T)

(-) CATH Domains  (0, 0)

(no "CATH Domain" information available for 2X2T)

(-) Pfam Domains  (0, 0)

(no "Pfam Domain" information available for 2X2T)

(-) Gene Ontology  (1, 1)

Asymmetric Unit(hide GO term definitions)
Chain A   (AGGL_SCLSC | A7XUK7)
molecular function
    GO:0030246    carbohydrate binding    Interacting selectively and non-covalently with any carbohydrate, which includes monosaccharides, oligosaccharides and polysaccharides as well as substances derived from monosaccharides by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom. Cyclitols are generally not regarded as carbohydrates.

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 Related Entries

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        AGGL_SCLSC | A7XUK7: 2x2s

(-) Related Entries Specified in the PDB File

2x2s CRYSTAL STRUCTURE OF SCLEROTINIA SCLEROTIORUM AGGLUTININ SSA