| Title | Crystal structure of an iron-containing 1,3-propanediol dehydrogenase (TM0920) from Thermotoga maritima at 1.3 A resolution. Proteins 54 174-177 2004 | | Site | JCSG | | PDB Id | | Target Id | 375013 | | Molecular Characteristics | | Source | Thermotoga maritima msb8 | | Alias Ids | TPS1639,TM0920 | Molecular Weight | 39908.83 Da. | | Residues | 359 | Isoelectric Point | 5.80 | | Sequence | vwefymptdvffgekilekrgniidllgkralvvtgkssskkngslddlkklldeteisyeifdeveen psfdnvmkaveryrndsfdfvvglgggspmdfakavavllkekdlsvedlydrekvkhwlpvveiptta gtgsevtpysiltdpegnkrgctlmfpvyafldprytysmsdeltlstgvdalshavegylsrkstpps dalaieamkiihrnlpkaiegnrearkkmfvasclagmviaqtgttlahalgyplttekgikhgkatgm vlpfvmevmkeeipekvdtvnhifggsllkflkelglyekvavsseelekwvekgsrakhlkntpgtft pekirniyrealgv | | | BLAST FFAS | | Structure Determination | | Method | XRAY | Chains | 2 | | Resolution (Å) | 1.30 | Rfree | 0.17 | | Matthews' coefficent | 1.92 | Rfactor | 0.137 | | Waters | 892 | Solvent Content | 35.36 |
| Pathway | | Reactions found in Metabolic Reconstruction for TM0920 | Name: alcohol dehydrogenase (glycerol)
Genes involved in rxn:TM0920 TM0111
Metabolic Subsystem: Alternate Carbon Metabolism
Reaction: :
glyald
Name:D-Glyceraldehyde
Formula:C3H6O3
KEGG:
C00577
+
h
Name:H+
Formula:H
KEGG:
C00080
+
nadh
Name:Nicotinamide adenine dinucleotide - reduced
Formula:C21H27N7O14P2
KEGG:
C00004
<==>
glyc
Name:Glycerol
Formula:C3H8O3
KEGG:
C00116
+
nad
Name:Nicotinamide adenine dinucleotide
Formula:C21H26N7O14P2
KEGG:
C00003
Classification: EC:1.1.1.1
| Name: acetaldehyde dehydrogenase (acetylating)
Genes involved in rxn:TM0920 TM0111
Metabolic Subsystem: Pyruvate Met
Reaction: :
acald
Name:Acetaldehyde
Formula:C2H4O
KEGG:
C00084
+
coa
Name:Coenzyme A
Formula:C21H32N7O16P3S
KEGG:
C00010
+
nad
Name:Nicotinamide adenine dinucleotide
Formula:C21H26N7O14P2
KEGG:
C00003
-->
accoa
Name:Acetyl-CoA
Formula:C23H34N7O17P3S
KEGG:
C00024
+
h
Name:H+
Formula:H
KEGG:
C00080
+
nadh
Name:Nicotinamide adenine dinucleotide - reduced
Formula:C21H27N7O14P2
KEGG:
C00004
Classification: EC:1.2.1.10
|
| Ligand Information | | Ligands | | | Metals | | | |
Protein Summary
The gene TM0920 from Thermotoga maritima encodes an iron-containing 1,3-propanediol dehydrogenase, a member of alcohol dehydrogenases family PF00465. The enzyme belongs to the class of multi-domain alpha and beta (a+b) proteins and adopts dehydroquinate synthase-like fold type with well-defined Rossmann-like domain SCOP56795. 1,3- propanediol dehydrogenase catalyzes the oxidation of propane-1,3-diol to 3-hydroxypropanal with the simultaneous reduction of NADP to NADPH. Another four alcohol dehydrogenase paralogues of TM0920 have been identified in the Thermotoga proteome (TM0111, TM0285, TM0423, and TM0820) [Ref]. Alcohol dehydrogenases are a group of oxidoreductases that catalyze the interconversion of alcohols and the corresponding aldehyde or ketone. Many of enzymes from this family are used in the pharmaceutical industry to catalyze the synthesis of chiral compounds [Ref].
Ligand Summary
References
