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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 M0107 and M0294

These two reactions have a combined similarity of 0.05


M0107

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Comparison

M0294

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EC 1.2.99.2
carbon-monoxide dehydrogenase (acceptor)
Sub-Class EC 1.3.5.1
succinate dehydrogenase (ubiquinone)

Image of acceptor

Image of carbon monoxide

Image of water

right arrow

Image of proton

Image of carbon dioxide

Image of reduced acceptor

acceptor
C00028
CHEBI:15339
carbon monoxide
C00237
CHEBI:17245
water
C00001
CHEBI:15377
2 proton
C00080
CHEBI:24636
carbon dioxide
C00011
CHEBI:16526
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
0.0.0.0

Catalytic CATH Codes

3.50.50.60
0.0.0.0

Active Site



0.07401

Active Site



Catalytic Residues

Type Number Chain Location of Function
Cys 388 B Side Chain
Glu 763 B Side Chain
0.0769

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

Type Identity Chain
FAD FAD 3932

Organic Cofactors

Type Identity Chain
FAD FAD 1001 A

Metal Cofactors

Type Het group Number Chain
iron FES 3907 x
iron FES 3908 x
copper CUB 3921 x
molybdenum CUB 3921 x

Metal Cofactors

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

Reaction occurs across 8 steps

0.0631

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0107.stg01

Carbon monoxide coordinates to the Cu(I) centre.
0 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 M0107.stg02

The Carbanion of carbon monoxide initiates a nucleophilic attack on the oxo group coordinated to the Mo(VI) centre, which results in the reduction of the molybdenum to Mo(IV). The C#O triple bond reduces in order to C=O.
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 M0107.stg03

The sulfur dianion bridging the Mo(IV) and Cu(I) centres initiates a nucleophilic attack on the carbocation in a substitution reaction that displaces the carbon from the Cu(I) centre.
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 M0107.stg04

The carbonyl oxygen initiates a nucleophilic attack on the Cu(I) centre in a substitution reaction that displaces the bridging sulfur ligand from the Cu(I) centre.
N/A Step 4
No Step with this number present
Step 5
GIF of Reaction Step M0107.stg05

Water initiates a nucleophilic attack on the Mo(IV) centre, displacing the negatively charged oxygen of the carboxylate group in a substitution reaction, which initiates an elimination of the sulfur group, to reform the bridging sulfur dianion and the formation of carbon dioxide, which decoordinates from the metal centre.
N/A Step 5
No Step with this number present
Step 6
GIF of Reaction Step M0107.stg06

Glu763 deprotonates water, initiating a single electron transfer from the Mo(IV) centre, through two iron-sulfur clusters to FAD, and thence to an external electron acceptor.
N/A Step 6
No Step with this number present
Step 7
GIF of Reaction Step M0107.stg07

Water deprotonates Glu763, which then deprotonates the Mo(V) bound hydroxide, initiating the second single electron transfer, through two iron-sulfur clusters to FAD, and thence to an external electron acceptor. This regenerates the cofactor.
N/A Step 7
No Step with this number present
Step 8
GIF of Reaction Step M0107.stg08

Water deprotonates Glu763 in an inferred return step.
N/A Step 8
No Step with this number present

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