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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 M0270 and M0319

These two reactions have a combined similarity of 0.24


M0270

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Comparison

M0319

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EC 5.1.3.1
ribulose-phosphate 3-epimerase
Class EC 1.6.99.1
NADPH dehydrogenase

Image of D-Ribulose 5-phosphate

right arrow

Image of D-Xylulose 5-phosphate

D-Ribulose 5-phosphate
C00199
CHEBI:17363
D-Xylulose 5-phosphate
C00231
CHEBI:16332
0

Image of NADPH

Image of proton

Image of a,b - unsaturated ketone

right arrow

Image of ketone

Image of NADP

NADPH
C00005
CHEBI:16474
proton
C00080
CHEBI:24636
a,b - unsaturated ketone
X00138
ketone
X00139
CHEBI:3992
NADP
C00006
CHEBI:18009

Catalytic CATH Codes

3.20.20.70

Catalytic CATH Codes

3.20.20.70

Active Site



0.0185

Active Site



Catalytic Residues

Type Number Chain Location of Function
Asp 178 A Side Chain
Asp 38 A Side Chain
Ser 11 A Side Chain
0

Catalytic Residues

Type Number Chain Location of Function
His 191 A Side Chain
Asn 194 A Side Chain
Asn 251 A Side Chain
Tyr 196 A Side Chain
Thr 37 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

Type Identity Chain
FMN FMN 401 A

Metal Cofactors

Type Het group Number Chain
zinc ZN 1224 A

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 3 steps

0.3714

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0270.stg01

Asp38 deprotonates the C3 of the substrate molecule, causing a rearrangement of the double bonds and the formation of the enolate form.
0.2 Step 1
GIF of Reaction Step M0319.stg01

NADP reduces the FMN cofactor.
Step 2
GIF of Reaction Step M0270.stg02

The enolate collapses back to the keto form with concomitant deprotonation of Asp178, forming the xylulose product.
0.38 Step 2
GIF of Reaction Step M0319.stg02

The anionic FMN intermediate acts as a hydride donor to the a-b unsaturated substrate. Tyr196 acts as the proton donor in the trans reduction of the substrate double bond.
Step 3
GIF of Reaction Step M0270.stg03

Bulk solvent returns the two catalytic aspartate residues to their correct protonation states.
0.5 Step 3
GIF of Reaction Step M0319.stg03

The Tyr196A is reprotonated by a solvent molecule.

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