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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 M0234

These two reactions have a combined similarity of 0.09


M0299

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Comparison

M0234

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EC 2.7.7.3
pantetheine-phosphate adenylyltransferase
Class EC 6.3.5.2
GMP synthase (glutamine-hydrolysing)

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
0.14

Image of xanthosine 5'-phosphate

Image of L-glutamine

Image of ATP

Image of Water

right arrow

Image of L-glutamic acid

Image of AMP

Image of GMP

Image of diphosphate

xanthosine 5'-phosphate
C00655
CHEBI:53012
L-glutamine
C00064
CHEBI:32666
ATP
C00002
CHEBI:30616
Water
C00001
CHEBI:15377
L-glutamic acid
C00025
CHEBI:16015
AMP
C00020
CHEBI:456215
GMP
C00144
CHEBI:58115
diphosphate
C00013
CHEBI:33019

Catalytic CATH Codes

3.40.50.620

Catalytic CATH Codes

3.40.50.880
3.40.50.620

Active Site



0.21098

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
0.2222

Catalytic Residues

Type Number Chain Location of Function
Lys 381 B Side Chain
Asp 239 B Side Chain
Glu 183 B Side Chain
His 181 B Side Chain
Cys 86 B Side Chain
Gly 59 B Main Chain Amide
Tyr 87 B Main Chain Amide

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 MG 530 B

Reaction occurs across 1 steps

0.0476

Reaction occurs across 6 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.
0.5 Step 1
GIF of Reaction Step M0234.stg01

The beta-phosphate deprotonates the XMP substrate, which then initiates a nucleophilic attack on the alpha-phosphate of ATP, eliminating pyrophosphate.
Step 2
No Step with this number present
N/A Step 2
GIF of Reaction Step M0234.stg02

His181 deprotonates Cys86, activating it for a nucleophilic attack upon L-glutamine, forming an enzyme-substrate covalent bond.
Step 3
No Step with this number present
N/A Step 3
GIF of Reaction Step M0234.stg03

The tetrahedral intermediate collapses, liberating ammonia, which deprotonates His181 and then passes to the other catalytic domain.
Step 4
No Step with this number present
N/A Step 4
GIF of Reaction Step M0234.stg04

Ammonia is deprotonated by the phosphate of the intermediate, activating it for a nucleophilic attack on the intermediate, which liberates AMP and the GMP product.
Step 5
No Step with this number present
N/A Step 5
GIF of Reaction Step M0234.stg05

His181 deprotonates a water molecule, which initiates a nucleophilic attack on the Cys-bound intermediate.
Step 6
No Step with this number present
N/A Step 6
GIF of Reaction Step M0234.stg06

The tetrahedral intermediate collapses, liberating Cys86, which deprotonates His181, and the glutamate product.

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