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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 M0123 and M0294

These two reactions have a combined similarity of 0.22


M0123

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Comparison

M0294

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EC 1.8.99.2
adenylyl-sulfate reductase
Sub-Class EC 1.3.5.1
succinate dehydrogenase (ubiquinone)

Image of double-electron donor

Image of proton

Image of adenylylsulphate

right arrow

Image of AMP

Image of sulphite

Image of oxidised donor

double-electron donor
X00054
proton
C00080
CHEBI:24636
adenylylsulphate
C00224
CHEBI:58243
AMP
C00020
CHEBI:456215
sulphite
C00094
CHEBI:17137
oxidised donor
C02177
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

3.50.50.60
3.90.700.10
3.30.70.20

Catalytic CATH Codes

3.50.50.60
0.0.0.0

Active Site



0.26469

Active Site



Catalytic Residues

Type Number Chain Location of Function
Asn 74 A Side Chain
Main Chain Amide
Glu 141 A Side Chain
Trp 234 A Side Chain
Arg 265 A Side Chain
Asp 361 A Side Chain
His 398 A Side Chain
Ser 449 A Side Chain
Main Chain Amide
Trp 48 B Side Chain
0.2941

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 1000 A

Organic Cofactors

Type Identity Chain
FAD FAD 1001 A

Metal Cofactors

Type Het group Number Chain
iron SF4 1110 B
iron SF4 1100 B

Metal Cofactors

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

Reaction occurs across 5 steps

0.25

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0123.stg01

A single electron is transferred from the donor, through two iron-sulfur clusters and Trp48B to FAD, with concomitant deprotonation of water.
0.25 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 M0123.stg02

A second single electron is transferred from the donor, through two iron-sulfur clusters and Trp48B to FAD forming the N1 anion form of reduced FAD.
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 M0123.stg03

The N5 of FAD initiates a nucleophilic attack on the sulfur of the sulfate group in an addition reaction.
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 M0123.stg04

Water deprotonates the N5 of FAD. One of the oxygen anions of sulfate eliminates the phosphate group.
N/A Step 4
No Step with this number present
Step 5
GIF of Reaction Step M0123.stg05

The N5 of FAD initiates the elimination of the sulfite with concomitant deprotonation of water.
N/A Step 5
No Step with this number present

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