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The two reactions compared are done so using a Tanimoto similarity score (for more information, please see the MACiE FAQ) for the bond changes only. The score maay range from 0 to 1 where 1 indicates that the two reactions are identical at the bond change level and 0 indicates that there are no bond changes in common.


Key

1.0-0.9 0.9-0.8 0.8-0.7 0.7-0.6 0.6-0.5 0.5-0.4 0.4-0.3 0.3-0.2 0.2-0.1 0.1-0.0 =0

Results for Comparison of M0236 and M0114

These two reactions have a combined similarity of 0.25


M0236

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Comparison

M0114

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EC 4.1.1.85
3-dehydro-L-gulonate-6-phosphate decarboxylase
Class EC 1.5.8.2
trimethylamine dehydrogenase

Image of 3-Dehydro-L-gulonate 6-phosphate

Image of Proton

right arrow

Image of Carbon dioxide

Image of L-Xylulose 5-phosphate

3-Dehydro-L-gulonate 6-phosphate
C14899
CHEBI:49039
Proton
C00080
CHEBI:15378
CHEBI:24636
Carbon dioxide
C00011
CHEBI:16526
L-Xylulose 5-phosphate
C03291
CHEBI:16593
0

Image of electron-transferring flavoprotein

Image of trimethylamine

Image of water

right arrow

Image of proton

Image of reduced electron-transferring flavoprotein

Image of dimethylamine

Image of formaldehyde

electron-transferring flavoprotein
C04253
CHEBI:5086
trimethylamine
C00565
CHEBI:18139
water
C00001
CHEBI:15377
2 proton
C00080
CHEBI:24636
reduced electron-transferring flavoprotein
C04570
dimethylamine
C00543
CHEBI:17170
formaldehyde
C00067
CHEBI:16842

Catalytic CATH Codes

3.20.20.70

Catalytic CATH Codes

3.20.20.70

Active Site



0.14994

Active Site



Catalytic Residues

Type Number Chain Location of Function
Asp 67 B Side Chain
Glu 112 A Side Chain
Lys 64 A Side Chain
His 136 A Side Chain
0.1666

Catalytic Residues

Type Number Chain Location of Function
Tyr 169 A Side Chain
His 172 A Side Chain
Cys 30 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

Type Identity Chain
FMN FMN 802 A

Metal Cofactors

Type Het group Number Chain
magnesium MG 5300 _

Metal Cofactors

Type Het group Number Chain
iron FS4 801 A

Reaction occurs across 3 steps

0.3333

Reaction occurs across 4 steps

Step 1
GIF of Reaction Step M0236.stg01

The substrate decarboxylates to form the 1,2-cis-enediolate intermediate and carbon dioxide.
0.09 Step 1
GIF of Reaction Step M0114.stg01

The nitrogen of trimethylamine initiates the elimination of a hydride ion, which is added to FMN.
Step 2
GIF of Reaction Step M0236.stg02

The carbonyl of the intermediate reforms and the C1 position is protonated. This can occur at the si-face (involving the si-water and His136, shown here) or at the re-face (involving the re-water and Arg139).
0.14 Step 2
GIF of Reaction Step M0114.stg02

The first single electron transfer from FMN to ETF, which passes through a single iron-sulfur cluster.
Step 3
GIF of Reaction Step M0236.stg03

An acid, assumed to be water, protonates His136.
0 Step 3
GIF of Reaction Step M0114.stg03

The second single electron transfer from FMN to ETF, which passes through a single iron-sulfur cluster. The transfer is facilitated by the abstraction of a proton from the FMN by water.
Step 4
No Step with this number present
N/A Step 4
GIF of Reaction Step M0114.stg04

The product of the enzyme undergoes spontaneous hydrolysis outside of the active site to produce formaldehyde and dimethylamine.

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