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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 M0299 and M0316

These two reactions have a combined similarity of 0.22


M0299

View
Comparison

M0316

View
EC 2.7.7.3
pantetheine-phosphate adenylyltransferase
Class EC 6.3.4.5
argininosuccinate synthetase

Image of ATP

Image of pantetheine 4'-phosphate

right arrow

Image of dephospho-CoA

Image of diphopshate

ATP
C00002
CHEBI:15422
pantetheine 4'-phosphate
C01134
CHEBI:61723
dephospho-CoA
C00882
CHEBI:15468
diphopshate
C00013
CHEBI:45212
0.16

Image of L-citrulline

Image of ATP

Image of L-aspartate

right arrow

Image of diphosphate

Image of AMP

Image of N-(L-arginino)succinate

L-citrulline
C00327
CHEBI:58148
ATP
C00002
CHEBI:30616
L-aspartate
C00049
CHEBI:29991
diphosphate
C00013
CHEBI:18361
AMP
C00020
CHEBI:16027
N-(L-arginino)succinate
C03406
CHEBI:57472

Catalytic CATH Codes

3.40.50.620

Catalytic CATH Codes

3.40.50.620
3.90.1260.10

Active Site



0.4658

Active Site



Catalytic Residues

Type Number Chain Location of Function
Arg 91 A Side Chain
Lys 42 A Side Chain
His 18 A Side Chain
Ser 129 A Main Chain Amide
0.5

Catalytic Residues

Type Number Chain Location of Function
Ser 173 A Side Chain
Arg 92 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
magnesium No Available PDB Information

Metal Cofactors

Type Het group Number Chain
magnesium No Available PDB Information

Reaction occurs across 1 steps

0.1428

Reaction occurs across 4 steps

Step 1
GIF of Reaction Step M0299.stg01

The phosphate group of pantetheine 4'-phosphate initiates a nucleophilic attack on the alpha phosphate group of ATP in a substitution reaction.
1 Step 1
GIF of Reaction Step M0316.stg01

Citrulline attacks at the alpha phosphate of ATP, which is held in a reactive S conformation by surrounding residues.
Step 2
No Step with this number present
N/A Step 2
GIF of Reaction Step M0316.stg02

The amine group of aspartate is deprotonated by Asp121, activating the nitrogen towards nucleophilic attack at the AMP-imine adduct. This results in the formation of a tetrahedral intermediate.
Step 3
No Step with this number present
N/A Step 3
GIF of Reaction Step M0316.stg03

Asp121A is deprotonated by the unprotonated amine group of the tetrahedral intermediate.
Step 4
No Step with this number present
N/A Step 4
GIF of Reaction Step M0316.stg04

The tetrahedral intermediate collapses, generating protonated AMP and arginosuccinate - a biosynthetic precursor of arginine.

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