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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 M0142

These two reactions have a combined similarity of 0.04


M0107

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Comparison

M0142

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EC 1.2.99.2
carbon-monoxide dehydrogenase (acceptor)
Sub-Class EC 1.18.1.2
ferredoxin-NADP+ reductase

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 NADPH

Image of adrenodoxin

right arrow

Image of proton

Image of NADP

Image of reduced adrenodoxin

NADPH
C00005
CHEBI:16474
2 adrenodoxin
C00667
CHEBI:16341
proton
C00080
CHEBI:24636
NADP
C00006
CHEBI:18009
2 reduced adrenodoxin
C00662
CHEBI:16906

Catalytic CATH Codes

3.30.365.10
0.0.0.0

Catalytic CATH Codes

3.40.50.720
3.50.50.60

Active Site



0.0139

Active Site



Catalytic Residues

Type Number Chain Location of Function
Cys 388 B Side Chain
Glu 763 B Side Chain
0

Catalytic Residues

Type Number Chain Location of Function
His 55 A Side Chain
Asp 159 A Side Chain
Ile 376 A Main Chain Amide
Main Chain Carbonyl
Thr 377 A Main Chain Amide
Main Chain Carbonyl

Organic Cofactors

Type Identity Chain
FAD FAD 3932

Organic Cofactors

Type Identity Chain
FAD FAD 461 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

No Associated Metal Cofactors

Reaction occurs across 8 steps

0.0579

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 M0142.stg01

A hydride ion is transferred from the substrate NADP to the cofactor, FAD461.
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 M0142.stg02

A single electron is transferred from the FAD461 to one of the substrate adrenodoxin dmers via the main chains of Ile376 and Thr377 and a second adrenodoxin dimer.
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 M0142.stg03

FAD461 is deprotonated by a water molecule activated by Asp159. This results in the second electron transfer from FAD461 to the second adrenodoxin dimer via the main chains of Ile376 and Thr377.
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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