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    1. 1. Protein Summary
    2. 2. Ligand Summary

    Title Crystal structure of a STEROID DELTA-ISOMERASE (PA2120) from PSEUDOMONAS AERUGINOSA at 2.57 A resolution. To be published
    Site JCSG
    PDB Id 3mso Target Id 391135
    Molecular Characteristics
    Source Pseudomonas aeruginosa pao1
    Alias Ids TPS18330,NP_250810.1, 3.10.450.50, 85628 Molecular Weight 15596.10 Da.
    Residues 142 Isoelectric Point 6.07
    Sequence mtslpleanaaatlaewhgliarrdlsglprllhpdavfrspmahkpyagapvvsmilntvltvfedfa yhrqlasadgrsvvlefsarvgerelkgidmirfdddgrivdfevmvrpmsglqalgeemgrrlasyla aska
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 2
    Resolution (Å) 2.57 Rfree 0.2412
    Matthews' coefficent 2.07 Rfactor 0.1926
    Waters 10 Solvent Content 40.63

    Ligand Information


    Google Scholar output for 3mso

    Protein Summary

    Target ID 391135 is a member of the SnoaL (PF07366) Pfam polyketide cyclase class. This Pfam class is represented by  48 known structures in the Protein Databank. The structure of target ID 391135 was determined by three-wavelength Se-MAD at a resolution of 2.57 Angstroms. Shown below is a ribbons representation of the monomeric structure with the N-terminal end in blue and the C-terminal end in red.


     The structure indicates that target ID 391135 can most likely be classified as belonging to the Cystatin-like SCOP fold and the NTF2-like Superfamily.

    The crystal structure with the aid of the EBI PISA server indicates that a tetramer is a significant oligomeric state in solution. Shown below is a ribbons representation of a tetramer with each of the four subunits in a different color.



     A DALI seach using the structure of target ID 391135 shows structural similarity to the following

    PDB ID DALI Z-Score rmsd overlap (Angstroms) alignment length number of residues % sequence ID Description
    3f8x 21.6  1.2 127 132 41 Putative delta-5,3-ketosteroid isomerase (YP_050331.1) from Erwinia carotovoraatroseptica SCRI1043 at 1.55 A resolution.
    3flj 19.1  1.6 125 141 34  Uncharacterized protein conserved in bacteria with a cystatin-like fold (YP_168589.1) from Silicibacter pomeroyi DSS-3 at 2.00 Angstrom resolution.
    3fh1 14.8  2.0 112 122 18 NTF2-like protein of unknown function (NP_108339.1) from Mesorhizobium loti at 1.60 Angstrom resolution.
    1tuh 12.9  2.7 120 131 13 Bal32a from a soil-derived mobile gene casette
    3gzr 12.6  2.6 112 142 7  Domain of unknown function with a NTF-2-like fold (NP_421374.1) from Caulobacter crescentus at 1.40 Angstrom resolution.
    3g8z 12.8  2.7 118 129 21 Cystatin-like fold (NP_639274.1) from Xanthomonas campestris at 1.90 A resolution.
    2k54 12.6  2.4 110 123 10 Solution NMR structure of protein Atu0742 from Agrobacterium tumefaciens.
    1ohp 12.5  2.6 113 125 17 5-3-ketosteroid isomerase mutant D38N from Pseudomonas testosteroni complexed with 5-alpha-estran-3,17-dione.
    3kkg 12.4  2.6 115 144 10  Putative SnoaL-like polyketide cyclase (YP_509242.1) from Jannaschia Sp. CCS1 at 1.40 Ang resolution.






















    Ligand Summary




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