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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 M0105 and M0294

These two reactions have a combined similarity of 0.06


M0105

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Comparison

M0294

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EC 1.2.3.1
aldehyde oxidase
Sub-Class EC 1.3.5.1
succinate dehydrogenase (ubiquinone)

Image of acceptor

Image of aldehyde

Image of water

right arrow

Image of proton

Image of carboxylic acid

Image of reduced acceptor

acceptor
C00028
CHEBI:15339
aldehyde
C00071
CHEBI:17478
water
C00001
CHEBI:15377
2 proton
C00080
CHEBI:24636
carboxylic acid
C00060
CHEBI:33575
reduced acceptor
C00030
CHEBI:17499
0

Image of ubiquniol

Image of fumarate

right arrow

Image of ubiquinone

Image of succinate

ubiquniol
C00390
CHEBI:17976
fumarate
C00122
CHEBI:37154
ubiquinone
C00399
CHEBI:16389
succinate
C00042
CHEBI:30031

Catalytic CATH Codes

3.30.365.10

Catalytic CATH Codes

3.50.50.60
0.0.0.0

Active Site



0.07497

Active Site



Catalytic Residues

Type Number Chain Location of Function
Glu 869 A Side Chain
0.0833

Catalytic Residues

Type Number Chain Location of Function
Phe 130 A Side Chain
Leu 263 A Side Chain
Glu 266 A Side Chain
Gln 251 A Side Chain
His 253 A Side Chain
His 364 A Side Chain
Arg 408 A Side Chain
Arg 297 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

Type Identity Chain
FAD FAD 1001 A

Metal Cofactors

Type Het group Number Chain
iron FES 908 x
iron FES 909 x
molybdenum PCD 921 x

Metal Cofactors

Type Het group Number Chain
iron SF4 1003 B
iron F3S 1004 B
iron No Available PDB Information

Reaction occurs across 4 steps

0.0757

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0105.stg01

Glu869 deprotonates the water in the coordination sphere of Mo(VI), which initiates a nucleophilic attack on the aldehyde in a substitution reaction, which eliminates a hydride ion, which adds to the sulfur dianion which is also in the Mo(VI) coordination sphere, eventually reducing Mo(VI) to Mo(IV).
0.08 Step 1
GIF of Reaction Step M0294.stg01

Ubiquinol acts as a two electron donor to the FAD cofactor, forming anionic FADH.
Step 2
GIF of Reaction Step M0105.stg02

Water deprotonates Glu869, which initiates a nucleophilic attack on the Mo(IV) centre, displacing the carboxylic acid product in a substitution reaction.
0 Step 2
GIF of Reaction Step M0294.stg02

The FADH N5 acts as a hydride donor to the polarised double bond in fumarate. A proton is simultaneously abstracted from Arg297 to saturate the double bond, forming succinate.
Step 3
GIF of Reaction Step M0105.stg03

A single electron is transferred from Mo(IV) to an acceptor via two iron-sulfur clusters.
0 Step 3
GIF of Reaction Step M0294.stg03

The catalytic acid/base is reprotonated by a solvent molecule.
Step 4
GIF of Reaction Step M0105.stg04

Water deprotonates the thiolate group part of the Mo(V) coordination sphere, causing the elimination of Glu869 from the Mo(V) coordination sphere, and transfer of the second electron from Mo(V) to the acceptor via two iron-sulfur clusters.
N/A Step 4
No Step with this number present

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