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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 M0315

These two reactions have a combined similarity of 0.56


M0341

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Comparison

M0315

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EC 5.3.3.8
dodecenoyl-CoA isomerase
Class EC 4.2.1.17
enoyl-CoA hydratase

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
0.33

Image of (3S)-3-Hydroxyacyl-CoA

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Image of trans-3-Enoyl-CoA

Image of water

(3S)-3-Hydroxyacyl-CoA
C00640
CHEBI:15455
trans-3-Enoyl-CoA
C05067
CHEBI:27700
water
C00001
CHEBI:15377

Catalytic CATH Codes

3.90.226.10

Catalytic CATH Codes

3.90.226.10

Active Site



0.5093

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
0.5

Catalytic Residues

Type Number Chain Location of Function
Glu 144 A Side Chain
Glu 164 A Side Chain
Gly 141 A Main Chain Amide
Ala 98 A Main Chain Amide

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

0.625

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
0.42 Step 1
GIF of Reaction Step M0315.stg01

Glu164 deprotonates the catalytic water, which adds to the C3 of the substrate.
Step 2
GIF of Reaction Step M0341.stg02

The oxyanion intermediate tautomerises to give product with the help of a proton donated by Glu136
0.71 Step 2
GIF of Reaction Step M0315.stg02

The intermediate collapses and the C2 of the substrate deprotonates Glu164.

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