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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 M0223 and M0114

These two reactions have a combined similarity of 0.17


M0223

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Comparison

M0114

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EC 6.4.1.1
pyruvate carboxylase
Class EC 1.5.8.2
trimethylamine dehydrogenase

Image of ATP

Image of bicarbonate

Image of pyruvate

right arrow

Image of proton

Image of oxaloacetate

Image of phosphate

Image of ADP

ATP
C00002
CHEBI:30616
bicarbonate
C00288
CHEBI:17544
pyruvate
C00022
CHEBI:15361
proton
C00080
CHEBI:24636
oxaloacetate
C00036
CHEBI:16452
phosphate
C00009
CHEBI:18367
ADP
C00008
CHEBI:456216
0.25

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



0.0094

Active Site



Catalytic Residues

Type Number Chain Location of Function
Asp 549 A Side Chain
Asp 655 A Side Chain
Lys 718 A Side Chain
0

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

Type Identity Chain
Biotin BTN 0

Organic Cofactors

Type Identity Chain
FMN FMN 802 A

Metal Cofactors

Type Het group Number Chain
zinc ZN 1157 A
magnesium MG 1156 B
magnesium MG 1157 B

Metal Cofactors

Type Het group Number Chain
iron FS4 801 A

Reaction occurs across 7 steps

0.2345

Reaction occurs across 4 steps

Step 1
GIF of Reaction Step M0223.stg01

Reaction occurs in the BC domain. The bicarbonate is deprotonated by an unidentified base. The activate bicarbonate then acts as a nucleophile and attacks the gamma-phosphate in a substitution reaction, liberating ADP. Mg(II) stabilises/activates the ATP
0 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 M0223.stg02

Reaction occurs in the BC domain. The phosphorylated bicarbonate undergoes a decarboxylation reaction (E1cb) to liberate carbon dioxide and phosphate.
0 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 M0223.stg03

Reaction occurs in the BC domain. The phosphate deprotonates one of the N-H groups of biotin with concomitant tautomerisation to produce an oxyanion.
0.75 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
GIF of Reaction Step M0223.stg04

Reaction occurs in the BC domain. The oxyanion re-forms the carbonyl group, causing the C=N bond of the activated biotin to add to the carbon dioxide in a nucleophilic manner.
0 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.
Step 5
GIF of Reaction Step M0223.stg05

Reaction occurs in the CT domain. The Asp549 deprotonates pyruvate, activating the pyruvate in a keto-enol tautomerisation.
N/A Step 5
No Step with this number present
Step 6
GIF of Reaction Step M0223.stg06

Reaction occurs in the CT domain. The activated pyruvate attacks the carboxylated biotin in a nucleophilic substitution, producing the oxaloacetate product and activated biotin.
N/A Step 6
No Step with this number present
Step 7
GIF of Reaction Step M0223.stg07

Reaction occurs in the CT domain. Lys718 deprotonates the activated biotin, which in turn deprotonates Asp549, returning the enzyme to its ground state.
N/A Step 7
No Step with this number present

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