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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 M0092 and M0142

These two reactions have a combined similarity of 0.18


M0092

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Comparison

M0142

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EC 1.1.1.22
UDP-glucose 6-dehydrogenase
Sub-Class EC 1.18.1.2
ferredoxin-NADP+ reductase

Image of UDP-glucose

Image of water

Image of NAD

right arrow

Image of proton

Image of NADH

Image of UDP-glucuronate

UDP-glucose
C00029
CHEBI:58367
water
C00001
CHEBI:15377
2 NAD
C00003
CHEBI:18009
2 proton
C00080
CHEBI:24636
2 NADH
C00004
CHEBI:16908
UDP-glucuronate
C00167
CHEBI:17200
0.25

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

3.40.50.720
1.10.1040.10

Catalytic CATH Codes

3.40.50.720
3.50.50.60

Active Site



0.225

Active Site



Catalytic Residues

Type Number Chain Location of Function
Thr 118 A Side Chain
Glu 145 A Side Chain
Lys 204 A Side Chain
Asn 208 A Side Chain
Cys 260 A Side Chain
Asp 264 A Side Chain
0.25

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

No Associated Metal Cofactors

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 6 steps

0.1643

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0092.stg01

Asp264 deprotonates water, which deprotonated Lys204 which deprotonates the CH3OH group of UDP, which causes the elimination of a hydride which adds to NAD
0.33 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 M0092.stg02

Cys260 initiates a nucleophilic attack on the formed carbonyl carbon in an addition reaction.
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 M0092.stg03

The oxyanion collapses, eliminating a second hydride, which adds to a second molecule of NAD.
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 M0092.stg04

Glu145 deprotonates water, which initiates a nucleophilic attack on the carbonyl carbon of the covalently bound substrate.
N/A Step 4
No Step with this number present
Step 5
GIF of Reaction Step M0092.stg05

The oxyanion collapses, eliminating Cys260.
N/A Step 5
No Step with this number present
Step 6
GIF of Reaction Step M0092.stg06

In an inferred return step, two water molecules deprotonate Glu145 and Asp264.
N/A Step 6
No Step with this number present

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