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    Table of contents
    1. 1. Protein Summary
    2. 2. Ligand Summary

    Title Molecular insights into substrate recognition and catalysis by tryptophan 2,3-dioxygenase. Proc.Natl.Acad.Sci.Usa 104 473-478 2007
    Site NESGC
    PDB Id 2nw8 Target Id XcR13
    Related PDB Ids 2nw9 1yw0 2nw7 
    Molecular Characteristics
    Source Xanthomonas campestris
    Alias Ids TPS9253,PF03301 Molecular Weight 34615.60 Da.
    Residues 298 Isoelectric Point 6.16
    Sequence mpvdknlrdlepgihtdlegrltyggylrldqllsaqqplsepahhdemlfiiqhqtselwlkllahel raaivhlqrdevwqcrkvlarskqvlrqlteqwsvletltpseymgfrdvlgpssgfqslqyryiefll gnknpqmlqvfaydpagqarlrevleapslyeeflrylarfghaipqqyqardwtaahvaddtlrpvfe riyentdrywreyslcedlvdvetqfqlwrfrhmrtvmrvigfkrgtggssgvgflqqalaltffpelf dvrtsvgvdnrppqgsadagkr
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 2
    Resolution (Å) 1.60 Rfree 0.189
    Matthews' coefficent 2.50 Rfactor 0.171
    Waters 708 Solvent Content 50.81

    Ligand Information
    Ligands TRP (PROTOPORPHYRIN) x 4;HEM x 2
    Metals MN (MANGANESE) x 2


    Google Scholar output for 2nw8
    1. Molecular insights into substrate recognition and catalysis by tryptophan 2, 3-dioxygenase
    F Forouhar, JL Anderson, CG Mowat - Proceedings of the , 2007 - National Acad Sciences
    2. Substrate_ Protein Interaction in Human Tryptophan Dioxygenase: The Critical Role of H76
    D Batabyal, SR Yeh - Journal of the American Chemical Society, 2009 - ACS Publications
    3. ONIOM study on a missing piece in our understanding of heme chemistry: Bacterial tryptophan 2, 3-dioxygenase with dual oxidants
    LW Chung, X Li, H Sugimoto, Y Shiro - Journal of the , 2010 - ACS Publications
    4. The second enzyme in pyrrolnitrin biosynthetic pathway is related to the heme-dependent dioxygenase superfamily
    W De Laurentis, L Khim, JLR Anderson, A Adam - Biochemistry, 2007 - ACS Publications
    5. Molecular docking and spatial coarse graining simulations as tools to investigate substrate recognition, enhancer binding and conformational transitions in
    A Macchiarulo, R Nuti, D Bellocchi, E Camaioni - et Biophysica Acta (BBA , 2007 - Elsevier
    6. A knowledge-driven approach for crystallographic protein model completion
    K Joosten, SX Cohen, P Emsley, W Mooij - Section D: Biological , 2008 - scripts.iucr.org
    7. The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2, 3-dioxygenase as revealed by quantum mechanical/molecular
    L Capece, A Lewis-Ballester, D Batabyal - Journal of Biological , 2010 - Springer
    8. Ligand and substrate migration in human indoleamine 2, 3-dioxygenase
    E Nickel, K Nienhaus, C Lu, SR Yeh - Journal of Biological , 2009 - ASBMB
    9. Substrate stereo_specificity in tryptophan dioxygenase and indoleamine 2, 3_dioxygenase
    L Capece, M Arrar, AE Roitberg, SR Yeh - Proteins: Structure, , 2010 - Wiley Online Library
    10. The Complete Reaction Mechanism of Indoleamine 2, 3-Dioxygenase as Revealed by QM/MM Simulations
    L Capece, A Lewis-Ballester, SR Yeh - The Journal of , 2012 - ACS Publications
    11. Molecular basis for the substrate stereoselectivity in Tryptophan Dioxygenase
    L Capece, A Lewis-Ballester, MA Marti, DA Estrin - Biochemistry, 2011 - ACS Publications
    12. Biochemical and Spectroscopic Characterization of Tryptophan Oxygenation: Tryptophan 2, 3-Dioxygenase and Maug
    R Fu - 2009 - digitalarchive.gsu.edu
    13. Non-canonical interactions of porphyrins in porphyrin-containing proteins
    S_ Stojanovi_, ER Isenovi_, BL Zari_ - Amino Acids, 2012 - Springer
    14. Interactions of Metals and Radicals: A Biochemical Perspective in Tryptophan Dioxygenase
    K Dornevil - 2011 - digitalarchive.gsu.edu
    15. Towards a Unified View of Substrate Binding in Heme Peroxidases.
    EJ Murphy - 2009 - lra.le.ac.uk
    16. The Oxidation of L-Tryptophan in Biology by Human Heme Dioxygenases
    BSA Rafice - 2010 - lra.le.ac.uk

    Protein Summary

    Ligand Summary




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