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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 M0341 and M0070

These two reactions have a combined similarity of 0.30


M0341

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Comparison

M0070

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EC 5.3.3.8
dodecenoyl-CoA isomerase
Class EC 4.1.1.41
methylmalonyl-CoA decarboxylase

Image of cis-dodec-3-enoyl coenzyme A

right arrow

Image of trans-dodec-2-enoyl coenzyme A

cis-dodec-3-enoyl coenzyme A
C02944
CHEBI:58543
trans-dodec-2-enoyl coenzyme A
C03221
CHEBI:57330
0.12

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

Image of proton

right arrow

Image of carbon dioxide

Image of propanoyl-CoA

(S)-2-methyl-3-oxopropanoyl-CoA
C00683
CHEBI:57326
proton
C00080
CHEBI:24636
carbon dioxide
C00011
CHEBI:16526
propanoyl-CoA
C00100
CHEBI:57392

Catalytic CATH Codes

3.90.226.10

Catalytic CATH Codes

3.90.226.10

Active Site



0.2065

Active Site



Catalytic Residues

Type Number Chain Location of Function
Leu 66 A Main Chain Amide
Gly 111 A Main Chain Amide
Glu 136 A Side Chain
0.2

Catalytic Residues

Type Number Chain Location of Function
His 66 A Main Chain Amide
Gly 110 A Main Chain Amide
Tyr 140 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

No Associated Metal Cofactors

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 2 steps

0.375

Reaction occurs across 2 steps

Step 1
GIF of Reaction Step M0341.stg01

Glu136A deprotonates the substrate with concomitant tautomerisation to the enolate form, which is stabilised by an oxyanion hole composed of the main chain amides of Leu66A and Gly111A
0.33 Step 1
GIF of Reaction Step M0070.stg01

The substrate undergoes decarboxylation, with concomitant double bond rearrangement. The newly formed oxyanion is stabilised by the backbone amides of His66 and Gly110
Step 2
GIF of Reaction Step M0341.stg02

The oxyanion intermediate tautomerises to give product with the help of a proton donated by Glu136
0.5 Step 2
GIF of Reaction Step M0070.stg02

The oxyanion collapses, initiating double bond rearrangement. The substrate deprotonates an unidentified base to form the final product.

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