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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 M0303

These two reactions have a combined similarity of 0.13


M0299

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Comparison

M0303

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EC 2.7.7.3
pantetheine-phosphate adenylyltransferase
Class EC 6.3.3.4
(carboxyethyl)arginine beta-lactam-synthase

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
0.22

Image of L-N2-(2-carboxyethyl)arginine

Image of ATP

right arrow

Image of proton

Image of diphosphate

Image of AMP

Image of deoxyamidinoproclavaminate

L-N2-(2-carboxyethyl)arginine
C06655
CHEBI:15427
ATP
C00002
CHEBI:30616
proton
C00080
CHEBI:24636
diphosphate
C00013
CHEBI:18361
AMP
C00020
CHEBI:16027
deoxyamidinoproclavaminate
C06656
CHEBI:15426

Catalytic CATH Codes

3.40.50.620

Catalytic CATH Codes

3.40.50.620

Active Site



0.14994

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
0.1666

Catalytic Residues

Type Number Chain Location of Function
Tyr 348 A Side Chain
Glu 382 A Side Chain
Lys 443 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 601 B
magnesium MG 602 B

Reaction occurs across 1 steps

0.1111

Reaction occurs across 3 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 M0303.stg01

The L-N2-(2-carboxyethyl)arginine substrate initiates a nucleophilic attack on the alphs-phosphate of ATP in a substitution reaction.
Step 2
No Step with this number present
N/A Step 2
GIF of Reaction Step M0303.stg02

Tyr348 deprotonates the immine, which initiates a nucleophilic attack on the carbonyl carbon next to the phosphate group in a substitution reaction. The leaving phosphate group deprotonates the newly formed beta-lactam.
Step 3
No Step with this number present
N/A Step 3
GIF of Reaction Step M0303.stg03

Water deprotonates Tyr348 in an inferred return step.

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