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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 M0215 and M0219

These two reactions have a combined similarity of 0.80


M0215

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Comparison

M0219

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EC 4.1.1.1
pyruvate decarboxylase
Class EC 2.2.1.1
transketolase

Image of Pyruvate

right arrow

Image of Carbon dioxide

Image of Acetaldehyde

Pyruvate
C00022
CHEBI:15361
Carbon dioxide
C00011
CHEBI:16526
Acetaldehyde
C00084
CHEBI:15343
0.2

Image of (2R)-2-Hydroxy-3-(phosphonooxy)-propanal

Image of Sedoheptulose 7-phosphate

right arrow

Image of D-Ribose 5-phosphate

Image of D-Xylulose 5-phosphate

(2R)-2-Hydroxy-3-(phosphonooxy)-propanal
C00118
CHEBI:59776
Sedoheptulose 7-phosphate
C05382
CHEBI:57483
D-Ribose 5-phosphate
C00117
CHEBI:17797
D-Xylulose 5-phosphate
C00231
CHEBI:57737

Catalytic CATH Codes

3.40.50.970

Catalytic CATH Codes

3.40.50.970

Active Site



0.61094

Active Site



Catalytic Residues

Type Number Chain Location of Function
Glu 51 B Side Chain
Gly 417 A Main Chain Carbonyl
Asp 28 B Side Chain
Glu 477 A Side Chain
His 114 B Side Chain
His 115 B Side Chain
0.6666

Catalytic Residues

Type Number Chain Location of Function
Glu 418 B Side Chain
His 481 B Side Chain
His 263 A Side Chain
His 30 A Side Chain

Organic Cofactors

Type Identity Chain
Thiamine diphosphate TPP 557 A

Organic Cofactors

Type Identity Chain
Thiamine diphosphate TPP 682 A

Metal Cofactors

Type Het group Number Chain
magnesium MG 558 A

Metal Cofactors

Type Het group Number Chain
calcium CA 681 A

Reaction occurs across 6 steps

0.9675

Reaction occurs across 7 steps

Step 1
GIF of Reaction Step M0215.stg01

Glu51B deprotonates the thiamine diphosphate cofactor, which initiates double bond rearrangement that results in the deprotonation of the N=CH-S group, activating the cofactor.
1 Step 1
GIF of Reaction Step M0219.stg01

Glu418B deprotonates the thiamine diphosphate cofactor, which initiates double bond rearrangement that results in the deprotonation of the N=CH-S group, activating the cofactor.
Step 2
GIF of Reaction Step M0215.stg02

The carbanion of thiamine diphosphate attacks the carbonyl carbon of pyruvate in a nucleophilic addition that results in the cofactor undergoing double bond rearrangement that results in the deprotonation of Glu51B.
1 Step 2
GIF of Reaction Step M0219.stg02

The carbanion of thiamine diphosphate attacks the carbonyl carbon of sedoheptulose 7-phosphate in a nucleophilic addition that results in the cofactor undergoing double bond rearrangement that results in the deprotonation of Glu418B.
Step 3
GIF of Reaction Step M0215.stg03

Carbon dioxide eliminates from the covalently attached pyruvate intermediate. Thiamine diphosphate acts as an electron sink.
0.66 Step 3
GIF of Reaction Step M0219.stg03

His263A deprotonates the 2-OH group of the covaltnely attached intermediate, initiating the elimination of D-xylulose 5-phosphate. Thaimine diphosphate acts as an electron sink.
Step 4
GIF of Reaction Step M0215.stg04

Thiamine diphosphate initiates a double bond rearrangement, which results in the intermediate deprotonating Asp28B, which in turn deprotonates His115B.
0.55 Step 4
GIF of Reaction Step M0219.stg04

Thiamine diphosphate initiates a double bond rearrangement, which results in the intermediate attacking (2R)-2-Hydroxy-3-(phosphonooxy)-propanal in a nucleophilic addition. The formed oxyanion deprotonates His263A.
Step 5
GIF of Reaction Step M0215.stg05

Glu51B deprotonates thiamine diphosphate, which initiates a double bond rearrangement, that deprotonates the hydroxide of the intermediate, and results in a reformation of the carbanionic activated cofactor and the acetaldehyde product.
1 Step 5
GIF of Reaction Step M0219.stg05

Glu418B deprotonates thiamine diphosphate, which initiates a double bond rearrangement, that deprotonates the hydroxide of the intermediate, and results in a reformation of the carbanionic activated cofactor and the D-xylulose 5-phosphate product.
Step 6
GIF of Reaction Step M0215.stg06

His115B deprotonates water. The carbanion of the thiamine diphosphate cofactor deprotonates the adjacent amine, which initiates double bond rearrangement that results in the deprotonation of Glu51B.
0.83 Step 6
GIF of Reaction Step M0219.stg06

The carbanion of the thiamine diphosphate cofactor deprotonates the adjacent amine, which initiates double bond rearrangement that results in the deprotonation of Glu418B.
Step 7
No Step with this number present
N/A Step 7
GIF of Reaction Step M0219.stg07

Cyclisation of the sugar product occurs spontaneously outside of the enzyme's active site.

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