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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 M0021 and M0142

These two reactions have a combined similarity of 0.24


M0021

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Comparison

M0142

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EC 1.1.1.38
malate dehydrogenase (oxaloacetate-decarboxylating)
Sub-Class EC 1.18.1.2
ferredoxin-NADP+ reductase

Image of NADP

Image of L-malate

right arrow

Image of NADPH

Image of carbon dioxide

Image of pyruvate

NADP
C00006
CHEBI:18009
L-malate
C00149
CHEBI:15589
NADPH
C00005
CHEBI:16474
carbon dioxide
C00011
CHEBI:16526
pyruvate
C00022
CHEBI:15361
0.2

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

3.40.50.10380
3.40.50.720

Catalytic CATH Codes

3.40.50.720
3.50.50.60

Active Site



0.1233

Active Site



Catalytic Residues

Type Number Chain Location of Function
Tyr 112 A Side Chain
Arg 165 A Side Chain
Lys 183 A Side Chain
Asp 278 A Side Chain
Asn 421 A Side Chain
0.125

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

No Associated Organic Cofactors

Organic Cofactors

Type Identity Chain
FAD FAD 461 A

Metal Cofactors

Type Het group Number Chain
manganese MN 604 x

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 4 steps

0.2926

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0021.stg01

Asp278 deprotonates Lys183, which deprotonates the hydroxyl group of malate, which eliminates a hydride ion that is added to NADP.
0.46 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 M0021.stg02

The reduced intermediate decarboxylates with concomitant double bond rearrangement.
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 M0021.stg03

The oxyanion collapses, reducing the C=C with concomitant deprotonation of Tyr112.
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 M0021.stg04

Tyr112 deprotonates Lys183 which deprotonates Asp278 in an inferred return step.
N/A Step 4
No Step with this number present

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