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3bo9

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

    Title Crystal structure of putative nitroalkan dioxygenase (TM0800) from Thermotoga maritima at 2.71 A resolution. To be published
    Site JCSG
    PDB Id 3bo9 Target Id 282670
    Molecular Characteristics
    Source Thermotoga maritima msb8
    Alias Ids TPS1234,TM0800, 90090, 85010 Molecular Weight 33671.26 Da.
    Residues 314 Isoelectric Point 5.63
    Sequence mtvrtrvtdlleiehpilmggmawagtptlaaavseagglgiigsgamkpddlrkaiselrqktdkpfg vniilvspwaddlvkvcieekvpvvtfgagnptkyirelkengtkvipvvasdslarmveragadavia egmesgghigevttfvlvnkvsrsvnipviaaggiadgrgmaaafalgaeavqmgtrfvasvesdvhpv ykekivkasirdtvvtgaklghparvlrtpfarkiqemefenpmqaeemlvgslrravvegdlergsfm vgqsaglideikpvkqiiedilkefketveklrgyiee
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 2
    Resolution (Å) 2.71 Rfree 0.211
    Matthews' coefficent 4.63 Rfactor 0.189
    Waters 25 Solvent Content 73.44

    Pathway

    Reactions found in Metabolic Reconstruction for TM0800

    Name: 3-hydroxy-palmetoyl-ACP synthesis
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + myrsACP + nadph --> 3hpalmACP + ACP + co2 + nadp

     
    Name: Fatty acid biosynthesis (n-C14:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : ddcaACP + h + malACP + nadph --> ACP + co2 + h2o + myrsACP + nadp

     
    Name: Fatty acid biosynthesis (n-C24:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : behenACP + h + malACP + nadph --> ACP + co2 + h2o + lgnACP + nadp

     
    Name: Fatty acid biosynthesis (n-C20:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + nadph + ocdcaACP --> ACP + arachACP + co2 + h2o + nadp

     
    Name: Fatty acid biosynthesis (n-C16:1)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + myrsACP + nadph --> ACP + co2 + h2o + hdeACP + nadp

     
    Name: Fatty acid biosynthesis (n-C22:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : arachACP + h + malACP + nadph --> ACP + behenACP + co2 + h2o + nadp

     
    Name: Fatty acid biosynthesis (n-C18:1)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + nadph + palmACP --> ACP + co2 + h2o + nadp + octeACP

     
    Name: 3-hydroxy-octadecanoyl-ACP synthesis
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + nadph + palmACP --> 3hoctaACP + ACP + co2 + nadp

     
    Name: Fatty acid biosynthesis (n-C20:1)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + nadph + ocdcaACP --> ACP + aracheACP + co2 + h2o + nadp

     
    Name: Fatty acid biosynthesis (n-C10:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : actACP + h + malACP + nadph --> ACP + co2 + dcaACP + h2o + nadp

     
    Name: Fatty acid biosynthesis (n-C18:2)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + palmACP --> ACP + co2 + h2o + ocdcyaACP

     
    Name: Fatty acid biosynthesis (n-C12:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : dcaACP + h + malACP + nadph --> ACP + co2 + ddcaACP + h2o + nadp

     
    Name: Fatty acid biosynthesis (n-C14:1)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : ddcaACP + h + malACP + nadph --> ACP + co2 + h2o + nadp + tdeACP

     
    Name: Fatty acid biosynthesis (n-C16:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + myrsACP + nadph --> ACP + co2 + h2o + nadp + palmACP

     
    Name: Fatty acid biosynthesis (n-C18:0)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : h + malACP + nadph + palmACP --> ACP + co2 + h2o + nadp + ocdcaACP

     
    Name: Fatty acid biosynthesis (n-C22:1)
    Other genes that carryout this rxn: TM0798 TM1724 TM1169 TM0802 TM0801
    Metabolic Subsystem: Fatty Acid Synthesis
    Reaction: : arachACP + h + malACP + nadph --> ACP + beheneACP + co2 + h2o + nadp

     

    Ligand Information
    Ligands
    Metals

    Jmol

     

    Protein Summary

    putative nitroalkan dioxygenaseProduct of conserved gene ( FabK of E.coli). Very important participant of Fatty Acid Biosynthesis(FASII). Genome and functional context is perfect:clustering on a chromosome with FabD - Malonyl CoA-acyl carrier protein transacylase (EC 2.3.1.39)(TM0798), FabZ - (3R)-hydroxymyristoyl-[acyl carrier protein] dehydratase (EC 4.2.1.-) (TM0801), FabF - 3-oxoacyl-[acyl-carrier-protein] synthase, KASII (EC 2.3.1.41) (TM0802)

    TM0800 is 35% seq identical to 2gjl/2gjn. It is structurally similar to 2gjl/2gjn. The active site residues are conserved, including H146 and the site binding FMN. TM0800 has residual density resemble FMN, but the riboflavin part is highly disordered (thus not modeled).  Thus TM0800 is also likely a deoxygenase.

    Additionally study suggested:

    co-xtallization with FMN
    derive substrate identity from constructed pathway


    Ligand Summary



    References

    Reviews

    References

     

    No references found.

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