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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 M0197

These two reactions have a combined similarity of 0.32


M0299

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Comparison

M0197

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EC 2.7.7.3
pantetheine-phosphate adenylyltransferase
Class EC 6.1.1.1
tyrosine-tRNA ligase

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
0.33

Image of L-tyrosine

Image of ATP

Image of tRNA(Tyr)

right arrow

Image of L-tyrosyl-tRNA(Tyr)

Image of AMP

Image of diphosphate

L-tyrosine
C00082
CHEBI:58315
ATP
C00002
CHEBI:30616
tRNA(Tyr)
C00787
CHEBI:29182
L-tyrosyl-tRNA(Tyr)
C02839
CHEBI:29161
AMP
C00020
CHEBI:456215
diphosphate
C00013
CHEBI:33019

Catalytic CATH Codes

3.40.50.620

Catalytic CATH Codes

3.40.50.620
1.10.240.10

Active Site



0.29997

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
0.3333

Catalytic Residues

Type Number Chain Location of Function
Thr 40 A Side Chain
His 45 A Side Chain
His 48 A Side Chain
Lys 82 A Side Chain
Arg 86 A Side Chain
Gln 173 A Side Chain
Lys 230 A Side Chain
Lys 233 A Side Chain
Thr 234 A Side Chain
Asp 194 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 MG(not in PDB) 1 x

Reaction occurs across 1 steps

0.3333

Reaction occurs across 2 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 M0197.stg01

The carboxylate group of the substrate L-tyrosine acts as a nucleophile and attacks the alpha-phosphate of the ATP in a substitution reaction that liberates pyrophosphate. Mg(II) and all catalytic residues stabilise the intermediates formed. Thr234 also affects the steric outcome of the reaction.
Step 2
No Step with this number present
N/A Step 2
GIF of Reaction Step M0197.stg02

The phosphate of the tyrosine-AMP complex deprotonates the OH of the ribose ring, which acts as a nucleophile to attack the carbonyl group of the tyrosine in the tyrosine-AMP complex in a substitution reaction, liberating AMP. Mg(II), Thr40, His48, Lys82, Arg86 and Gln173 all stabilise the intermediates formed.

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