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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 M0207 and M0310

These two reactions have a combined similarity of 0.13


M0207

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Comparison

M0310

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EC 2.7.9.1
pyruvate, phosphate dikinase
Class EC 6.1.2.1
D-alanine-(R)-lactate ligase

Image of phosphate

Image of ATP

Image of Pyruvate

right arrow

Image of Proton

Image of AMP

Image of Phosphoenolpyruvate

Image of diphosphate

phosphate
C00009
CHEBI:18367
ATP
C00002
CHEBI:15422
Pyruvate
C00022
CHEBI:15361
Proton
C00080
CHEBI:24636
AMP
C00020
CHEBI:456215
Phosphoenolpyruvate
C00074
CHEBI:58702
diphosphate
C00013
CHEBI:33019
0.18

Image of D-alanine

Image of ATP

Image of R-lactate

right arrow

Image of D-alanyl-(R)-lactate

Image of phosphate

Image of ADP

D-alanine
C00133
CHEBI:57416
ATP
C00002
CHEBI:30616
R-lactate
C00256
CHEBI:16004
D-alanyl-(R)-lactate
X00135
phosphate
C00009
CHEBI:18367
ADP
C00008
CHEBI:456216

Catalytic CATH Codes

3.30.1490.20
3.50.30.10
3.20.20.60
3.30.470.20

Catalytic CATH Codes

3.30.470.20
3.40.50.20

Active Site



0.36

Active Site



Catalytic Residues

Type Number Chain Location of Function
Arg 92 A Side Chain
Lys 22 A Side Chain
His 455 A Side Chain
Arg 337 A Side Chain
Met 103 A Main Chain Amide
Gly 101 A Main Chain Amide
Tyr 851 A Side Chain
Ser 764 A Side Chain
Cys 831 A Side Chain
0.4

Catalytic Residues

Type Number Chain Location of Function
His 99 A Side Chain
Val 19 A Side Chain
Gln 311 A Main Chain Amide
Arg 290 A Side Chain
Tyr 315 A Side Chain
Lys 22 A Side Chain
Glu 250 A Side Chain
His 244 A Side Chain

Organic Cofactors

No Associated Organic Cofactors

Organic Cofactors

No Associated Organic Cofactors

Metal Cofactors

Type Het group Number Chain
magnesium MG(not in PDB) 1 x
magnesium MG(not in PDB) 2 x
magnesium MG 1001 A

Metal Cofactors

Type Het group Number Chain
magnesium MG 360 A
magnesium MG 365 A

Reaction occurs across 3 steps

0.0476

Reaction occurs across 3 steps

Step 1
GIF of Reaction Step M0207.stg01

His455 attacks the beta phosphate of the ATP in a nucleophilic substitution that results in His455 carrying a pyrophosphate moiety and the AMP product.
0.33 Step 1
GIF of Reaction Step M0310.stg01

The D-lactate substrate attacks the terminal phosphate of ATP in a concerted mechanism to form ADP and phosphorylated D-lactate.
Step 2
GIF of Reaction Step M0207.stg02

Free phosphate attacks the terminal phosphate of the His455 pyrophosphate moiety in a nuclephilic substitution, resulting in free pyrophosphate and phosphorylated His455.
0 Step 2
GIF of Reaction Step M0310.stg02

D-alanine attacks the alpha phosphate of the D-lactate phosphate adduct, forming a tetrahedral intermediate.
Step 3
GIF of Reaction Step M0207.stg03

In a proton relay chain involving bulk solvent, Tyr851, water, Ser764 and Cys831 the CH3 group of the pyruvate substrate is deprotonated. This initiates a double bond rearrangement that causes the ketone carbonyl group to attack the phosphorylated His455 in a nuclephilic substitution generating free His455 and the final product.
0 Step 3
GIF of Reaction Step M0310.stg03

The tetrahedral intermediate collapses, eliminating inorganic phosphate and forming the D-alanyl-D-lactate adduct.

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