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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 M0252

These two reactions have a combined similarity of 0.26


M0270

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Comparison

M0252

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EC 5.1.3.1
ribulose-phosphate 3-epimerase
Class EC 4.1.1.48
indole-3-glycerol-phosphate synthase

Image of D-Ribulose 5-phosphate

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Image of D-Xylulose 5-phosphate

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

Image of proton

Image of 1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate

right arrow

Image of carbon dioxide

Image of Indoleglycerol phosphate

Image of water

proton
C00080
CHEBI:24636
1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate
C01302
CHEBI:58613
carbon dioxide
C00011
CHEBI:16526
Indoleglycerol phosphate
C03506
CHEBI:18299
water
C00001
CHEBI:15377

Catalytic CATH Codes

3.20.20.70

Catalytic CATH Codes

3.20.20.70

Active Site



0.06426

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
0.0714

Catalytic Residues

Type Number Chain Location of Function
Lys 53 A Side Chain
Glu 51 A Side Chain
Lys 110 A Side Chain
Glu 159 A Side Chain
Asn 180 A Side Chain
Ser 211 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
zinc ZN 1224 A

Metal Cofactors

No Associated Metal Cofactors

Reaction occurs across 3 steps

0.3809

Reaction occurs across 5 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.
0.25 Step 1
GIF of Reaction Step M0252.stg01

The nitrogen in the substrate initiates a double bond rearrangement which results in the cyclisation of the intermediate, and deprotonation of Lys110.
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.
0.14 Step 2
GIF of Reaction Step M0252.stg02

The carboxylic acid group undergoes elimination from the substrate resulting indecarboxylation.
Step 3
GIF of Reaction Step M0270.stg03

Bulk solvent returns the two catalytic aspartate residues to their correct protonation states.
0 Step 3
GIF of Reaction Step M0252.stg03

In this inferred step, Lys110 deprotonates water.
Step 4
No Step with this number present
N/A Step 4
GIF of Reaction Step M0252.stg04

Glu159 deprotonates the carbon alpha to the nitrogen in the newly formed ring, initiating the elimination of water and the deprotonation of Lys110.
Step 5
No Step with this number present
N/A Step 5
GIF of Reaction Step M0252.stg05

In this inferred return step, water deprotonates Glu159 and Lys110 deprotonates water.

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