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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 M0201 and M0342

These two reactions have a combined similarity of 0.01


M0201

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Comparison

M0342

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EC 6.4.1.3
propionyl-CoA carboxylase
Class EC 5.3.3.-
delta(3,5)-delta(2,4)-dienoyl-CoA isomerase

Image of ATP

Image of bicarbonate

Image of propanoyl-CoA

right arrow

Image of proton

Image of (S)-2-methyl-3-oxopropanoyl-CoA

Image of phosphate

Image of ADP

ATP
C00002
CHEBI:30616
bicarbonate
C00288
CHEBI:17544
propanoyl-CoA
C00100
CHEBI:57392
proton
C00080
CHEBI:24636
(S)-2-methyl-3-oxopropanoyl-CoA
C00683
CHEBI:57326
phosphate
C00009
CHEBI:18367
ADP
C00008
CHEBI:456216
0.05

Image of trans,cis-octa-3,5-dienoyl-CoA(4-)

right arrow

Image of trans,trans-octa-2,4-dienoyl-CoA(4-)

trans,cis-octa-3,5-dienoyl-CoA(4-)
X00148
trans,trans-octa-2,4-dienoyl-CoA(4-)
X00149
CHEBI:62243

Catalytic CATH Codes

3.90.226.10

Catalytic CATH Codes

3.90.226.10

Active Site



0.0226

Active Site



Catalytic Residues

Type Number Chain Location of Function
Gly 182 A Main Chain Amide
Gly 183 A Main Chain Amide
Gly 419 B Main Chain Amide
Ala 420 B Main Chain Amide
0

Catalytic Residues

Type Number Chain Location of Function
Asp 176 A Side Chain
Glu 196 A Side Chain
Asp 204 A Side Chain

Organic Cofactors

Type Identity Chain
Biotin BTN 5600

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
magnesium MG(not in PDB) 1 x

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 7 steps

0.012

Reaction occurs across 1 steps

Step 1
GIF of Reaction Step M0201.stg01

Reaction occurs in the alpha-subunit. 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
0.07 Step 1
GIF of Reaction Step M0342.stg01

Glu196 OE2 atom abstracts a proton from C2 of the substrate, initiating a rearrangement of double bonds, causing Asp204 to donate its proton to C6 of the substrate. This is facilitated by the binding of the thioester oxygen atom in the oxyanion hole formed by the peptide nitrogens of Ile117 and of Gly173.
Step 2
GIF of Reaction Step M0201.stg02

Reaction occurs in the alpha-subunit. The phosphorylated bicarbonate undergoes a decarboxylation reaction (E1cb) to liberate carbon dioxide and phosphate.
N/A Step 2
No Step with this number present
Step 3
GIF of Reaction Step M0201.stg03

Reaction occurs in the alpha-subunit. The phosphate deprotonates one of the N-H groups of biotin with concomitant tautomerisation to produce an oxyanion.
N/A Step 3
No Step with this number present
Step 4
GIF of Reaction Step M0201.stg04

Reaction occurs in the alpha-subunit. 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.
N/A Step 4
No Step with this number present
Step 5
GIF of Reaction Step M0201.stg05

Reaction occurs in the beta-subunit. Once the carboxylated biotin has relocated to the beta-subunit, the biotin undergoes a decarboxylation reaction (E1cb) to liberate carbon dioxide and the activated biotin molecule. the main chain amides of Gly419B and Ala420B stabilise the oxyanion of the activated biotin.
N/A Step 5
No Step with this number present
Step 6
GIF of Reaction Step M0201.stg06

Reaction occurs in the beta-subunit. The oxyanion re-forms the carbonyl group, causing the C=N bond of the activated biotin to deprotonate the propanoyl-CoA with concomitant tautomerisation. The main chain amides of Gly182 and Gly183 stabilise the activated propanoyl-CoA, the main chain amides of Gly419B and Ala420B stabilise the oxyanion of the activated biotin.
N/A Step 6
No Step with this number present
Step 7
GIF of Reaction Step M0201.stg07

Reaction occurs in the beta-subunit. The oxyanion re-forms the carbonyl group causing the C=C bond of the activated propanoyl-CoA to add to the carbon dioxide molecule in an electrophilic manner.
N/A Step 7
No Step with this number present

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